curriculum vitae of vka

8/9/2019 Curriculum Vitae of VKA

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Curriculum Vitae of Prof. (Dr.) Vijay K. Agrawal

Name and Designation: Prof. (Dr.) Vijay Kumar Agrawal

Director, NITTTR

Bhopal (M.P.)

Fathers Name: Late Shri Ram Agrawal

Date of Birth: 11

th

June 1957 at AllahabadInstitution: National Institute of Technical Teachers

Training & Research, Shamla Hills,

Bhopal-462002 (M.P.)

Field of Specialization: Physical Chemistry, Molecular modeling

Theoretical Chemistry, QSAR Studies,

Computer Aided Drug Designing.

Contact: National Institute of Technical Teachers

Training & Research Shamla Hills,

Bhopal-462002(M.P.)

E-Mail: [email protected],

[email protected]

Phone: +91-755-2661600-602, Mob: 09425194556

Fax: +91-755-2661996,www.nitttrbpl.ac.in

Academic Record:

Examination Board/University Year of Division Position % of Subject

passing Grade in merit, Marks

if any

M.Sc. Allahabad University 1980 I Second 72.4 Physical

Chemistry

PGD Tokyo Institute 1991 - Chemistry and of

Technology Chemical

Engineering

D.Phil.: Title of Thesis: Structure-activity relationship studies in drug

molecules: A quantum mechanical approach


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Guide: Prof. Bal Krishna

Year: 1984

University: Allahabad University

Teaching and Research Experience: More than 29 years, PG teaching 24 yrs.

Member of the Academic Bodies:

* Former Member, Executive Council, APS University, Rewa

* Former Dean, Faculty of Science, APS University, Rewa

* Former Dean, Faculty of Home Science, APS University, Rewa

* Former Chairman Board of Studies in Chemistry, A.P.S. University, Rewa

* Former Member Central Board of Studies in Chemistry, MP

* Former Prof.-in-charge of Study Centre for Biochemistry A.P.S. University, Rewa.

* Zonal secretary QSAR Society of India (Since 1991).

* Fellow and Council Member of Indian Chemical Society,

* Life member of the National Academy of Sciences, India

* Life member ofIndian Association of Nuclear Chemists and Allied Scientists,* Former member Academic Council, A.P.S. University, Rewa

* Former In-Charge, Computer Cenre, APS University, Rewa

* Former member research Degree Committee in Applied Chemistry, Kanpur University

* Served as Associate Editor (for two years) J. of Indian Chemical Society

Member of the council of the Indian Chemical Society, Kolkata.

Member Board of Studies in Chemistry, Kanpur University, Kanpur.

Administrative Experiences

* Ex-Member, Executive Council of APS University, Rewa

* Ex-Dean, Faculty of Science, APS University, Rewa* Ex-Dean, Faculty of Home Science, APS University, Rewa

* Former Dean, Students Welfare, APS University, Rewa from May 2005 to Feb 2007.

* Former Chairman, DPC, APS University, Rewa

* Former Head of the Chemistry Department APS University Rewa.

* Former Prof-in Charge Centre for Biochemistry, APS University

*Former Prof.-in-charge M.Phil. in Bio-chemistry* Acted Coordinator, Flying Squad, A.P.S. University, Rewa, for many years

* Acted Superintendent for University Examinations for many years.

* Acted as a Member, Unfair Means Committee of the A.P.S. University Exams.* Acted as Coordinator, Central Valuation of APS University Examination for 2004, 2005

* Acted as Assistant Coordinator, Central Valuation of APS University Examination for 2001,

2002 examinations.* Acted as Chief Coordinator, Central Revaluation 2004 examinations of APSU, Rewa

* Acted as Assistant Coordinator, Revaluation Cell of the APS University.

* Acted as a member of the Central Purchase Committee of the APS University.

* Edited Vishwavidyalaya Samachar of APS University Rewa for more than five Years.

* Former member Editorial Board of Vindhya Bharti Research Journal of APSU

* Worked as Programme Officer of NSS of the APSU,Rewa for more than four years.

* Worked as Director of SC/ST coaching cell of the APS University.

* Worked as Coordinator Central Valuation (Science Cell) for 2003 examination of APS

University, Rewa.

* Participated in various Inspection Committees of affiliated colleges of APSU, Rewa.


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* Acted as Observer in LL.B Entrance Test2003 and 2004 conducted by APSU, Rewa.

Superintendent UGC NET Examination for 2006, 2007 and 2008 examinations.

Worked as Coordinator, result Cell for 2008 Examination, APS University, Rewa

Acted as Coordinator, Result Cell of APS University for 2007-08 and 08-09

Examination

Acted as member of Stearing Committee for UGC Visit, APS University, Rewa

Academic achievements and other related activities:

* Organized a National Seminar on Recent Trends in Chemistry during 2003-2004.

* Acting as referee for International Journals Bioorganic and Medicinal Chemistry

Bioorganic and Medicinal Chemistry Letters, U.K. Published by Elsevier.

* Acting as a referee for International Journal Journal of Molecular Liquids, Germany.

* Acting as a referee for International Journal C.B.D.D. chemical Biology & Drug Design.

* Awarded UNESCO fellowship in 1990, visited Japan for one year for higher research

work, received PGD degree in Chemistry and Chemical Engineering.

* Studied Japanese language for six months.

* Delivered an invited talk on Szeged index in Romania during the International

Conference on 20 Years of Topology in Cluj. TOPMOL from Sept 25 to 30, 2006.* Associated with the Science Communication Programme of National Academy of

Sciences, India.

* Acted as resource person to deliver expert lectures on Topological applications in Drug

Design at BITS, Pilani, Jainarain Vyas University, Jodhpur, Nagpur University, Bhagalpur

University, Jiwaji University, Gwalior.

* Delivered Plenary Lecture at 57th

Indian Pharmaceutical Congress 2005 (An international

event) held at Hyderabad from Dec 2 to 4, 2005.

* Delivered two expert lectures on QSAR and molecular modeling at Deen Dayal

Upadhyaya Gorakhpur University (UGC refresher course in Chemistry-2005).

* Delivered two lectures in the Chemistry Department of Jiwaji University, Gwalior

(MICA programe).

* Completed four Major Research Projects awarded by AICTE, CSIR and UGC, New Delhi.One project from UGC has recently been awarded

* Completed three minor research projects of UGC and one is still going on

* Recipient of J.R.F and S.R.F. from CSIR, New Delhi.

* Presented research papers in many International and National Symposia and Seminars.

* Taught Japanese language to MTA students upto 1997.

* Worked as Course Coordinator of BJMC course of APSU Rewa for more than four years.

* Worked as member of Internal Quality Assurance Cell (IQUAC) of APSU Rewa.

* Worked as a member of AIU Cultural Committee for 2008-09

* Appointed as an expert in the Project Award Committee for chemistry in UGC, New

Delhi, 2008.

Projects awarded:

a. Awarded major research project from AICTE on Computer aided drug designing

and calculation of some physico-chemical parameters; completed in June 2000.

b. Awarded a major research project by U.G.C., New Delhi on Computer aided

designing of some anti-HIV agents.

c. Awarded a major project by CSIR New Delhi on Topological modelling of some

organic drugs.

d. Awarded a Project from UGC on Topological Modeling of Some Protein Kinase

Inhibitors.


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Publications:

a. Number of Research papers

Published in International/ National Journals: 130

b. Accepted for publication: 02

c. Communicated 10

Foreign Visits:

Visited Japan for one year as a UNESCO Fellow.(1990-91).

Visited Romania and delivered invited lecture on Topological Indices (International

Conference on TOPMOL 2006).

Working with world renowned Scientists:

1. Prof. Alexandru T. Balaban , A.T. Balaban Department of Marine Sciences, TexasA&M University at Galveston, 5007 Avenue U, Galveston,, TX 77551, United

States of America

2. Prof. I. Lukovits, Central Research Institute for Chemistry, Hungarian Academy ofSciences, P.O. Box 17, H-1525, Budapest, Hungary.3. Prof. Ivan Gutman, Faculty of Science, University of Kragujevac, P.O. Box 60, YU-

34000, Kragujevac, Yugoslavia,

4. Prof. M.H. Abbraham, Department of Chemistry, University College London,20 Gordon Street, London WC1H 0AJ, UK

5. Prof. Mircea. V. Diudea, Faculty of Chemistry and Chemical Engineering, Babes-Bolyai University, 3400Cluj, Roumania

6. Prof. Claudiu T Supuran, University of Florence, Dipartimento di Chimica,Laboratorio di Chimica Bioinorganica, Via della Lastruccia, 3, Rm.188, Polo

Scientifico,50019-Sesto Fiorentino (Firenze), Italy.

7. Prof. Brian W.Clare, School of Biomedical and Chemical Sciences, University ofWestern Australia, 35 Stirling Highway, Crawley, WA-6009, Australia.Awards: 1.UNESCO fellowship-1990-91

2. Recipient of Pt.Ravi shankar shukla award for popular Science

bookKahan Gayee Swachchha Hawa from Sahitya Academy

M.P.Govt.1991

BOOKs

Author:

1. Bharat Ki Sanskritik Virasat (With Mrs. Hemlata)

2. Subah Kuchh Sham Kuchh

3. Hamari Sanskritik Dharohar (With Mrs. Hemlata)

Popular Science

4. Kahan Gayee Swachchha Hawa


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5. Zahreela Ho Raha Hai Pani

6. Paryavaran Aur Hum

7. Kahani Robot Ki

8. Duniya Badalne Wale Vaigyanik

9. Akash Mein Kya Hai

10. Gane Wale Panchhi

11. Pankh Se Rocket Tak

12 Saur Urja

Edited (Assoc. Editor):

Books/ Journals

1. Mahapandit Rahul

2. Kashi Par Kahan

3. Samkaleen Kahaniyan

4. Fazal Tabish

5. Shatabdi Vimarsh : A collection of Writings of Sri Jagdish Joshi

6. Mai Nahi Jag Bolta Hai

7. Kaptan Awadhesh Pratap Singh (Monograph)

8. Vindhya Bharti (J.)

9. Sarthakta Ka Sachhya Hiralal Nigam10. Yug Sakshi Harishankar Parsai

11. Pt. Urmila Prasad Shukla

12. Kamla Prasad Vyaktitva evam Krititva

13. Vasudha -a literary magazine

Edited Seven Books on Journalism for BJ (MC) of APS University, Rewa

Extra-curricular activities:

* Organized National Level Interuniversity Youth Festival in 1994-95 sponsored by

AIU, New Delhi

* Participated in Blood donation programmes of Lions Club, Rewa

(Donated blood several times)

* Organized a very popular national seminar on Role of Media in 21st century.

* Former member of Board of editors Vindhya Bharti a research journal of APSU,

Rewa.

*. Features,reports,articles published in various news papers.

LIST OF PUBLICATIONS OF DR. VIJAY K. AGRAWAL

1. QSAR Studies on antituberculotic N1-cyclopropyl quinolones using Szeged index (Sz)

Vijay K. Agrawal, Shahnaz Bano, Keshav C. Mathur and Padmakar V. Khadikar

Indian J. Chem., 38A,1203-1208, 1999.


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2. Novel application of Wiener vis-a-vis Szeged indices: Antituberculotic activities of

quinolones


Proc. Indian Acad. Sci., (Chem. Sec.)112, 137-1146, 2000.

3. Topological effect of substitution on antituberculotic activities of quinolones

Vijay K. Agrawal, Shahnaz Bano, Keshav C. Mathur and Padmakar V. KhadikarProc. Nat. Acad. Sci.,Sec. A (Phys Sec.) 69(A)II,145-154(1999).

4. Novel substitution constatnt for QSAR studies

Vijay K. Agrawal, S. Bano, K. C. Mathur, P. V. Khadikar and S. Karmarkar

Nat. Acad. Sci. Letters 22, 55-59 (1999)

5. Study of inhibition of DNA synthesis by hydroxyurea(s)


Proc. Indian Acad. Sci., (Chem. Sec.) 111, 697-708 (1999)

6. Topological QSAR studies on antifungal benzoxazoles

Sunil K. Soni , Vijay K. Agrawal, P. V. Khadikar and A.K. Srivastava

Indian J. Chem., 38(A), 745-752 (1999).

7. Topological studies on benzodiazepine receptor binding

Sunil K. Soni , Vijay K. Agrawal, P. V. Khadikar and A.K. Srivastava

J. Indian Chem. Soc. , 77,133-136 (2000)

8. QSAR studies on antiasthmatic agents

Shailja Sachan, Shahnaz Bano,Vijay K. Agrawal, P. V. Khadikar, A.K. Srivastava

Nat. Acad. Sci. Letters, 22, 119-124 (1999).

9. Use of Szeged index in the study of alkylpyrazine odor modulators: Specific anosmia

Manorama Mandloi, V. K. Agrawal, K. C. Mathur, P. V. Khadikar, S. Karmarkar

Bulgarian Chemistry and Industry,73, 5-10 (2002)

10. QSAR studies on a series of 4-quinolinecarbinolamine antimalarials

Vijay K. Agrawal, Sangeeta Sinha and Padmakar V. Khadikar

Indian J. Chem., 39B, 472-474 (2000).

11. QSAR studies on some antimalarials

Sangeeta Sinha, Shahnaz Bano, Vijay K. Agrawal and Padmakar V. Khadikar

Oxid. Commun., 22, 479-486 (1999).

12. QSAR studies on some antimalarials:Substituted phenyl analogues and their

Nw-oxides

Vijay K. Agrawal, Ruchi Sharma and Padmakar V. Khadikar

Bioorg. Med. Chem., 10, 1361-1366 (2002).

13. On homo-lumo energies and charge densities of 2-acetylpyridine

1-oxide thiosemicarbazone

Sangeeta Sinha, Shahnaz Bano, Vijay K. Agrawal and Padmakar V. Khadikar

Oxidation Communication, 24, 16-20 (2001)

14. QSAR studies on antimalarial 2,4-diamino-6-quinazoline sulfonamides

Vijay K. Agrawal, Sangeeta Sinha, Shahnaz Bano and Padmakar V. Khadikar

Acta Microbiologic, 48, 17-26 (2001)


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15. QSAR studies on antimalarial activities of 2-phenyl-4-quinoline-carbinolamines

Vijay K. Agrawal, Sangeeta Sinha, Shahnaz Bano and Padmakar V. Khadikar

Pol. J. Pharmacol. 51, 517-523 (1999).

16 QSAR studies on antimalarial activities of 5-phenoxyprimaquines

Vijay K. Agrawal , P.V. Khadikar

Oxid. Comm. 26,179-185 (2003)

17. On the Szeged index of monocyclic graphs

P. V. Khadikar, P.P.Kale, N.V. Deshpande and V. K. Agrawal

J. Indian Chem Soc, 77,449-452 (2000)

18. QSAR analysis of antibacterial activity of some 4-aminodiphenyl sulfone

derivatives

Vijay K. Agrawal ,Shahnaz Bano and Padmakar V. Khadikar

Acta Microbiologica- 50, 385-393 (2003)

19. Szeged indices of hexagonal chains

P.V. Khadikar , P. P. Kale, N. V. Deshpande, S. Karmarkar and V.K. Agrawal

MATCH, 43, 7-15 (2001).

20. Comparative study of the Balaban, Schultz, and Padmakar-Ivan indices of

Polychlorinated Biphenyls

P.V. Khadikar , V.K. Agrawal, S. Karmarkar

Oxid. Comm.27, 17-22 (2004)

21. Novel estimation of the edge-shift in X-ray absorption discontinuity by the Harary

index (H)

S. Joshi, S. Singh, V.K. Agrawal, K.C. Mathur, S. Karamarkar and P.V. Khadikar

Nat. Acad. Sci. Letters., 22, 159-167 (1999).

22. Electron spin resonance in phen-adducts of copper(II)-salicylhydroxamates

S. Karamarkar, P.V. Khadikar,

S.Singh, V.K. Agrawal, K.C. Mathur and T. GhadarianOxidation Communication, 24, 184-191 (2001)

23. Modelling of anti-HIV-1 drugs: acyclouridine derivatives

Vijay K. Agrawal and Padmakar V. Khadikar

Oxidation Communication. 25,481-492 (2002)

24. Relationships and relative correlation potential of the Wiener, Szeged, and PI indices.

Padmakar V Khadikar, Sneha Karmarkar and Vijay K Agrawal

Nat. Acad. Sci. Letters, 23, 165-170 (2000)

25. Quantitative structure-activity analysis of {(Arorylamino)ethyl} piperazinesand piperidines, A class of potent H1 antagonists,D.K. Gupta, A.K. Srivastava and V.K. Agrawal,

Oxidation Communication, 16, 74 (1993).

26. PI Index of polyacenes and its use in QSPR

Padmakar V Khadikar Sneha Karmarkar and Vijay K. Agrawal


27. QSAR studies on anti-inflammatory 4,5-diaryl-pyrroles

Vijay K. Agrawal Suja Joseph Padmakar V Khadikar Sneha Karmarkar

Acta Pharm. 50, 281, 2000


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28. QSAR studies on some anti-HIV-1 drugs: deoxy analogues of HEPT(1)

Vijay K. Agrawal, Jyoti Singh, Sneha Karmarkar and Padmakar V. Khadikar

Bulg. Chem. Ind. In Press

29. Stability of antiferroelectricity and causes for its appearance in SmC* and SmCA*phases of a chiral smectic liquid crystal, MHPOBC,

Yoichi Takanishi, Kazuyuki Hiraoka, Vijay. K. Agrawal, Hideo Takezoe,Atsuo Fukuda and Mitsugu Matsushita,

Jap. J. Appl. Phys., 30(9A) 2023 (1991).

30. Topological estimation of proton-ligand formation constants: A multivariate analysis

S. Karmarkar, P.V. Khadikar, M. Mandloi, S. Joshi,V. K. Agrawal and S.Bano

Indian J. Chem. Sec A 40A, 12-22 (2001).

31. QSAR study on quinolone antibacterials

Vijay K. Agrawal , Padmakar V. Khadikar

Bulg. Chem. Ind. In Press

32 Novel PI indices of hexagonal chains

P. V. Khadikar, P. P. Kale, N. V. Deshpande, S. Karmarkar and V.K. AgrawalJ. Math.Chem., 29, 143-150 (2001).

33. QSAR study on a new class of potent H1 antagonists

V.K. Agrawal, Shailja Sachan and P.V. Khadikar

Nat. Acad. Sci. Letters, 24,16 ( 2001).

34. Estimation of anti-tuberculosis activity of the quinolones by Harary index

S.Karmarkar, G. S. Thakaral, V.K. Agrawal, K.C. Mathur and P.V. Khadikar

Nat. Acad. Sci. Letters, 22, 207 (1999).

35. On the Szeged indices of [N]-cycles and monocycles containing

acyclic side chains

P.V. Khadikar,S.Karmarkar, V. K Agrawal, M. Mandloi and S. JoshiNat. Acad. Sci. Letters, 23, 50-56 (2000).

36. Topological estimation of proton-ligand formation constants of potential antitumor

agents : Salicylhydroxamic acids

S. Karmarkar, P. V. Khadikar, V. K Agrawal, K.C. Mathur , M. Mandloi, S. Joshi

Proc. Indian Acad. Sci. (Chem. Sec.), 112, 43-49 (2000).

37. Topological potential of zwitterion analogues of cimetidine as H2-receptor antagonists

Vijay K. Agrawal , Shailja Sachan and Padmakar V. Khadikar

Pol. J. Pharmacol., 52, 39-46 (2000).

38. QSAR study on a new class of airway selective steroids for the treatment of asthma


Oxidation Comm, 25, 184 (2002)

39. On the role of molecular connectivity in IOC- Technique,D.K. Gupta, V.K. Singh, A.K. Srivastava and Vijay Agrawal,

Indian J. Chem., 60 (A), 263 (1990).

40. Studies on flavins as potential antimalarials

Vijay K. Agrawal , Ruchi Sharma and Padmakar V. Khadikar

Oxid. Communication, 26,186 (2003).


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41. QSAR study on antiviral activity of ester prodrugs of

6-methoxypurine arabinosides

Vijay K. Agrawal , Ruchi Sharma and P. V. Khadikar

Indian J. Chem., 41A, 1163-1166(2002).

42. QSARstudies on anti-HIV-1 activity of 1-alkoxy-5-alkyl-6-(arylthio) uracils

Vijay K. Agrawal, and P. V. Khadikar

Bulg. Chem Ind., 73, 11-16 (2002)

43. QSAR studies on antihypertensive thiadiazoles

Vijay K. Agrawal, Shahnaz Bano and P. V. Khadikar

Nat. Acad. Sci. Letters, 23, 21-27, (2000).

44. QSAR study on antihypertensive activity of a series of alkyl

N-[diphenyl alkyl]aminoalkyl-4-aryl-1,4-dihydro-2,6-dimethyl

pyridine-3,5 di-carboxylats

Vijay K. Agrawal, Padmakar V. Khadikar

Oxi. Commun. 26, 1-8(2003)

45. QSAR modeling of antihypertensive thiadiazoles

Vijay K. Agrawal, Shahnaz Bano and Padmakar V. KhadikarOxidation Communication, 24, 21-27 (2001)

46. Role of molecular redundancy in developing QSAR model:A case of new class of

nonsteroidal anti-inflammatory agents

Vijay K. Agrawal, Suja Joseph and P. V. Khadikar


47. Quantitative structure-activity (QSAR) studies on nonulcerogenic

anti-inflammatory agents

Vijay K. Agrawal and P. V. Khadikar

Bulg. Chem. Commun. 34,35-44, (2002).

48. QSAR studies on histamine H3-receptors: Iodoproxyfan compounds and

Na-alkylated histamine derivatives

Vijay K. Agrawal , Shailja Sachan , Sneha Karmarkar and Padmakar V. Khadikar


49. On the Topological Estimation of Chromatographic Capacity Factor (Ki)

Vijay K. Agrawal and Padmakar. V. Khadikar

Revue Roumaniae de Chemie, 48,795-800(2003)

50. QSAR studies on acylated histamine derivatives


Bioorg. Med Chem., 9, 2787-2792 (2001)

51. QSAR studies on antihistaminic activity of some thiazolidine-4-ones

Vijay K. Agrawal , Shailja Sachan and Padmakar V. Khadikar

Acta Pharm., 50, 281-290, (2000).

52. Estimation of antihypertensive activity of 2-aryl-imino-imidazolidines

using Szeged index.

M. Mandloi, V. K. Agrawal, K. C. Mathur, P. V. Khadikar and S. Karmarkar

Oxidation Communcation, 25, 193 (2002)

53. QSAR study on phenoxyalkyl imidazoles as potent H3-receptor histamine antagonists

Vijay K. Agrawal , Shailja Sachan , Padmakar V. Khadikar and S. Karmarkar


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Acta Pharm., 51, 189-199 (2001).

54. HOMO & LUMO Energy values for bases of nucleic acids,

K.B. Lal, V.K.Agrawal, A.K. Srivastava and B. Krishna,

Indian J. Pure Appl. Phys., 21, 670 (1983).

55. Multivariate analysis for modelling some antibacterial agents

Vijay K. Agrawal, Kamlesh Mishra and Padmakar V. KhadikarOxidation Communication, 26,14-21, (2003).

56. Search for unique set of parameters in IOC- Technique,K.B. Lal, V.K.Agrawal, A.K. Srivastava and B. Krishna,

Indian J. Pure Appl. Phys., 20 , 994 (1982).

57. QSAR analysis of indolealkylamine receptor binding using Szeged index

Manorama Mandloi , Vijay K. Agrawal, Keshav C. Mathur, Sneha Karmarkar

Padmakar V. Khadikar

Acta Pharma , 50, 303-313, (2000).

58. QSAR modelling of anti-inflammatory activity of a new series of tetracyclic

carboxamidesVijay K. Agrawal and Padmakar V. Khadikar

Oxi. Commun., 26,168 (2003).

59. QSAR studies on anti-hypertensive activity of 4-(diarylmethyl)-N-substituted-

piperadines

Vijay K. Agrawal, Rajneesh C Srivastava and Padmakar V. Khadikar

Acta Pharma, 51, 117-130 (2001).

60. QSAR studies on some antimalarial sulfonamides

Vijay K. Agrawal, Ravindra Srivastava and Padmakar V. Khadikar

Bioorg. Med.Chem., 9, 3287-3293 (2001)

61. QSAR study using distance-based topological indices

P. V. Khadikar, S. Karmarkar, K. Gaur, S. Singh and Vijay K Agrawal

Oxi. Commun., 27, 1-11(2004)

62. A Novel PI index and its applications to QSPR/QSAR studies

P. V. Khadikar, S. Karmarkar and Vijay K Agrawal

J. Chem. Inf. Comput. Sci., 41, 934-949 (2001)

63. QSAR studies on some anti-HIV agents: HEPT analogues

Vijay K. Agrawal, Kamlesh Mishra, Ruchi Sharma and Padmakar V Khadikar

J Chem Sc. 116, 93-99(2004)64. Topological modelling of binding affinity of 1-phenyl-3-amino-1, 2, 3,

4-tetrahydronaphthalenes as ligands for histamine H1 receptors

Vijay K. Agrawal , Shailja Sachan, Sanjeev Chaturvedi and Padmakar V Khadikar

Proceedings of the Nat. Acad. Sci. India 73, 283-296 (2003).

65. QSAR study on binding affinity of PATs (rodenticides) to the [3H]-mepyramine-labeled

H1 receptor in rat and guinea pig brain

Vijay K. Agrawal, Sanjay Karmarkar and Padmakar V KhadikarSAR - QSAR Environ. Res.12, 529-545 (2001).


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66. On the modelling of competition binding of rodenticides (PATs) to

H1 receptor in rat and guinea pig brain

Vijay K Agrawal, Sanjay Karmarkar and P. V. Khadikar,

Bioorg. Med. Chem. 10, 2913-2918 (2002).

67. On narcotic mechanism of action and toxicity: A molecular connectivity

approach to vibrio fischeri toxicity testing

Vijay K. Agrawal and Padmakar V. KhadikarBioorg. Med. Chem. 10, 3517-3522 (2002).

68. QSAR studies on the toxicity of insecticides

Sanjay Karmarkar,Vijay K Agrawal, Keshav Mathur P. V Khadikar

Bulg. Chem. Ind. 73, 99-103 (2002).

69. QSAR study on toxicity of insecticides:

A molecular connectivity approach

Sanjay Karmarkar,Vijay K Agrawal, Keshav Mathur and P. V Khadikar

Sci and Culture 69,16-19, (2003).

70. Novel Method for the Estimation of Toxicity of Insecticides

Sanjay Karmarkar,Vijay K Agrawal, Keshav Mathur and P. V KhadikarSci and Culture. 69, 277-279, (2003).

71. QSAR Prediction of toxicity of nitrobenzenes.

Vijay K. Agrawal, Padmakar V. Khadikar,

Bioorg Med. Chem., 9, 3035-3040 (2001)

72. Novel topological studies on crown compounds : Wiener indices

of thia-crowns

Padmakar V. Khadikar, Sneha Karmarkar and Vijay K. Agrawal

Oxid. Commu. 28, 799-809 (2005).

73. QSAR studies on Anti-tuberculotic Activity

Sneha Karmarkar, K. Gaur, S. Singh, Vijay K. Agrawal,

Keshav C. Mathur and Padmakar V. Khadikar

Oxid, Commun. 27, 12-16(2004)

74. QSAR Study on Inhibition of Brain 3-Hydroxy-anthranilic acid

(3-HAO): A Molecular Connectivity Approach

Vijay. K. Agrawal, Rashmi Sohgaura and Padmakar. V. Khadikar

Bioorg. Med. Chem., 9, 3295-3299 (2001)

75. Estimation of antitumor activity of sulfonimidamide analogous of oncolytic

sulfonylureasAnupam Saxena, Vijay K. Agrawal, Padmakar V. Khadikar

Oxid. Commun. 26,9-13, (2003)

76. Thermal characterization of macrocyclic cation complexes:

Gadolinium (III) complex with Dibenz0-18-crown-6.

Padmakar V. Khadikar and Vijay K. Agrawal

Oxidation Communication, 28, 810-818 (2005).

77. Synthesis, Characterization and spectral studies on organometalic ruthenium

compounds with N, P, As and Sb donor ligands,


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Subodh Kumar, P.V. Khadikar, R.K. Mehta and Vijay K. Agrawal.

Oxi. Commun. 26, 448-454 (2003).

78. Synthesis and esr studies on pyridine adducts of copper(II) salicylhydroxamates

Padmakar V. Khadikar, Vijay K. Agrawal

Oxi. Comm. 26, 619-626 (2003)

79 QSAR Studies on Carbonic Anhydrase Inhibitors:A Case of Ureido and ThioureidoDerivatives of Aromatic / Heterocyclic Sulfonamides


Bioorg. Med. Chem., 10, 2993-2999 (2002).

80. QSAR Studies on Biological Activity of Piritrexim analogues against pcDHFR

Vijay K. Agrawal, Rashmi Sohgaura & P.V. Khadikar

Bioorg. Med. Chem. 10, 2919-2926 (2002).

81. Quantitative Structure-Activity Relationship Studies On 5-Phenyl-3-Ureeido-1,5-

Benzodiazepine as Cholecystokinin-A Receptor Antagonists


Bioorg. Med. Chem. 10, 3571-3581(2002).

82. On the Topological Evidences for Modelling Lipophilicity

Vijay K. Agrawal , Jyoti Singh and Padmakar V. Khadikar

Bioorg. Med. Chem. 10, 3981-3996 (2002).

83. Prediction of Lipophilicity of Polyacenes Using Quantitative Structure Activity

Relationships

Padmakar V. Khadikar,Vijay K. Agrawal, Sneha Karmarkar

Bioorg. Med. Chem. 10, 3499-3507, (2002).

84. Modelling of Carbonic Anhydrase Inhibitory Activity of Sulfonamides Using

Molecular Negentropy

Vijay K Agrawal, and

Padmakar V Khadikar

Bioorg. Med. Chem. Letters 13, 447-453 (2003).

85. Use of distance-based topological indices in modelling antihypertensive activity : Case of

2-aryl-imino-imidazolidines

Vijay K. Agrawal, Sneha Karmarkar, P. V. Khadikar , Shachi Shrivastava, I..Lukovits

Indian J. Chem. (Sec A) 42A, 1426-1435 (2003).

86. QSAR Study on Tadpole Narcosis

Vijay K. Agrawal, S. Chaturvedi, P.V. Khadikar, M.H. Abraham

Bioorg. Med. Chem. 11:20:4523-4533(2003).

87. Equalized electronegativity and topological indices: Application for modeling toxicity

of nitrobenzene derivativesPadmakar V.Khadikar, Istvan Lukovits, Vijay K.Agrawal, Shachi Shrivastava,

Mona Jaiswal, Ivan Gutman, Sneha Karmarkar & Anjali Shrivastava

Indian J. Chem. (Sec A)- 42A, 1436-1441 (2003).88. Topological Approach to Quantifying Molecular Lipophilicity of Heterogeneous Set of

Organic Compounds

Vijay K. Agrawal, Shahnaz Bano and Padmakar V. Khadikar

Bioorg. Med. Chem. 11, 4039-4047 (2003).

89. QSAR Study on 5,6-Dihydro-2-pyrones as HIV-1 Protease Inhibitors

Vijay K Agrawal, Jyoti Singh , Krishna C Mishra and Padmakar V. Khadikar


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Arkivoc (ii) 162-177, (2006).

90. Quantitative Structure-Activity Relationship Studies on

Sulfanilamide Schiff Bases: CA Inhibitors

V.K. Agrawal, Shachi Shrivastava, P.V. Khadikar and C.T. Supuran

Bioorg. Med. Chem. 11, 5353-5362 (2003).

91. Topological Designing of 4-Piperazinylqunazolines as Antagonists of PDGFRTyrosine Kinase Family

Padmakar V. Khadikar, Anjali Srivastava,Vijay K. Agrawal and Shachi Srivastava

BMCL 13,3009-3014 (2003).

92. QSAR Study on 5-Lipoxygenase Inhibitors Using Distance-Based Topological

Indices

Vijay K. Agrawal, Shahnaz Bano and Padmakar V. Khadikar

Bioorg. Med. Chem. 11, 5519-5527 (2003).

93. QSAR study on carbonic anhydrase inhibitors: aromatic/heterocyclic

sulfonamides containing 8-quinoline-sulfonyl moieties, with topical activity as

antiglaucoma agents.

Vijay K. Agrawal, Bano, C.T. Supuran and Padmakar V. Khadikar

Eu. J. Med. Chem., 39, 593-600 (2004).

94. QSAR Study on Phosphoramidothioate (Ace) Toxicities in Housefly

Vijay K. Agrawal, Shachi Srivastava and Padmakar V. Khadikar

Molecular Diversity, 8, 834-819 (2004).

95. QSAR Study on the Estimation of Lipophilicity Using Distance-Based Topological

Indices: Dominating Role of Equalized Electronegativity

Vijay K. Agrawal, Jyoti Singh, Madhu Gupta and Padmakar V. Khadikar

Bioorg. Med. Chem. 13,2109-2120 (2005).

96. Quantitative structure-activity relationship studies on some antiviral and

Cytostaic Agents

Chhaya Pandey, K.P. Dwivedi, Gopal Das Yadav, V.K. Singh, A.K. Srivastava and

V.K. Agrawal,

Indian J. Biochem. Biophys, 26,405(1989).

97. On the usefulness of different off-diagonal matrix elements in IOC- Technique

D.K. Gupta, V.K. Singh, A.K. Srivastava, R.K. Gupta, A.K. Srivastava and

Vijay Agrawal

Indian J. Phys., 61B, 325 (1987).

98. Quantitative structure-activity relationship studies on some potentialantitumor agents I

D.K. Gupta, Arun Srivastava, R.K. Gupta, K.K. Tewari, A.K. Srivastava and

V.K. Agrawal,

Nat. Acad. Sci. Letters, 10, 279(1987).

99. Quantitative structure-activity relationship studies on some antiarrhythmic agents

D.K. Gupta, K.K. Tewari, Arun Srivastava, R.K. Gupta, A.K. Srivastava and V.K.

Agrawal,

Nat. Acad. Sci. Letters,10, 239(1987).


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100. QSAR Study On Carbonic Anhydrase Inhibitors: Water-Soluble Sulfonamides

Incorporating -Alanyl Moieties, Possessing Long Lasting-Intra Ocular PressureLowering Properties -A Molecular Connectivity Approach

Vijay K. Agrawal, Jyoti Singh, Meghna Banerji, Madhu Gupta, Padmakar V.

Khadikar and Claudiu T. Supuran

Eur. J. Med. Chem. 40, 1002-1012 (2005).

101. QSAR Studies on Adenosine Kinase InhibitorsVijay K. Agrawal, Kamana Singhand Padmakar V. Khadikar

Med Chem Res. 13 (6,7) 479-496 (2004).

102. QSAR Study on Topically Acting Sulfonamides Incorporating GABA

Moieties: A Molecular Connectivity Approach

Vijay K Agrawal, Jyoti Singh, Padmakar V. Khadikar and Claudiu T. Supuran

Bioorg. Med. Chem. Letters. 16, 2044-2051, (2006).

103. Szeged index Applications for drug modeling

Padmakar V. Khadikar,, Sneha Karmarkar, Vijay K. Agrawal, Jyoti Singh,

Anjali Shrivastava, Istvan Lukovits and Marcia V. Diudea

Letters in Drug Design & Discovery; 2, 604-624,(2005).

104. Topological molding of McGowan characteristic volume: Non-polar narcosis

Vijay K. Agrawal, Jyoti Singh, Sanjeev Chaturvedi, and Padmakar V. Khadikar

Bioinformatics Vol. III, 71-80 (2005).

105. QSAR Studies on Benzopyrans as Potassium Ion Channel Activators

Vijay K. Agrawal , Jyoti Singh, Madhu Gupta and Padmakar V. Khadikar, CT Supuran

Eur. J. Med. Chem. 41(3), 360-366 (2006).

106. QSAR study on cytotoxic activities of a series of HEPT analoguesVijay K Agrawal, K.C. Mishra, J. Singh, P.V. Khadikar

Letters Drug Design & Discovery 3,129-137,(2006).

107. The Topology of Molecule and Its Lipophilicity

Vijay K. Agrawal, Jyoti Singh, Bruno Louis and Padmakar V. Khadikar

Current Computer-Aided Drug Design, (CCADD), 2, 369-403 (2006).

108. QSAR of CAI, CAII, and CA IV Inhibitory Activities: Relative Correlation

Potential of Six Topological Indices

Padmakar V. Khadikar, Brian W.Clare , Alexandru T. Balaban , Claudiu T Supuran ,

Vijay K. Agarwal, Jyoti Singh,Ashok K. Joshi and Meenakshi Lakhwani

Roum. Rev. 5, 703-717 (2006)

109. Development ofQuantitative structure activity relationship for a set of Carbonic

Anhydrase inhibitors Inhibitors: Use of Quantum and Chemical DescriptorsPadmakar V. Khadikar, Omar Deeb, Amal Jaber, Jyoti Singh, Vijay K. Agrawal,

Shalini Singh, Meenakshi Lakhwani

Letters in Drug Design & Discovery 3 , 622-635 (2006).

110. First and Novel QSAR Study on Murine Recombinant Isozyme mCAXIII :

Topological Vs Structural Descriptors

Jyoti Singh, Meenakshi Lakhwani, Padmakar V. Khadikar and

Vijay K. Agrawal and Claudiu T. Supuran

Arkivoc, XIV, 103-118 (2006)


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111. MODELING OF INHIBITORY ACTIVITIES OF SULFANIL-AMIDE SCHIFFS

BASES USING PHYSICOCHEMICAL PROPERTIES

VIJAY K. AGRAWAL, JYOTI SINGH, ARUNENDRA PANDEY,

PADMAKAR V. KHADIKAR

Oxidation Communication, 29, 803-816 (2006).

112. QSPR Correlations of Half-wave Reduction Potentials ofcata-Condensed

Benzenoid Hydrocarbons.Jyoti Singh, Shalini Singh, Shahida Meer, Vijay K. Agrawal, Padmakar V.

Khadikar and Alexandru T. Balaban

ARKIVOC, XV, 1-16 2006.

113. QSAR Studies on some anti-HIV-1 Drugs : Deoxy analogues of Hept-1

Vijay K Agrawal, Jyoti Singh, Arunrndra Pandey, P.V. KhadikarOxidation Communication, 29, 803-816 (2006).

114. QSAR studies on the activation of the human carbonic anhydrase cytosolic

isoforms I and II and secretory isozyme VI with amino acids and amines

Jyoti Singh, Basheerulla Shaik,Shalini Singh, Sarla Sikhima, Vijay K. Agrawal,

Padmakar V. Khadikar , and Claudiu T. Supuran,Bioorganic & Medicinal Chemistry 15 ,65016509, (2007)

115. QSAR STUDY ON OCTANOL-WATER PARTITIONING:DOMINATING

ROLE OF EQUALIZED ELECTRONEGATIVITY

Jyoti Singh, Vinay K. Dubey, Vijay K. Agrawal, Padmakar V. Khadikar

Oxidation Communication 1, 27-43, (2008).

116. Use of Topological as well as quantum chemical parameters in modeling

antimalarial activity of 2,4-diamino-6-quinazoline sulfonamides

Vijay K. Agrawal, Jyoti Singha, Sarvendra Singh, Padmakar V. KhadikarOxidation Communication 1, 2-17, (2008).

117. TOPOLOGICAL MODELLING OF HYDROPHOBICITY OF COMPOUNDSEXHIBITING NARCOSIS

Jyoti Singh, Vijay K. Agrawal, B. Shaik, Sanjeev Chaturvedi and Padmakar V. Khadikar

Oxidation Communicatio, 31, 264-274, (2008).

118. Comparative QSAR Study on Para-substituted Aromatic Sulphonamides as

CAII Inhibitors : Information vs Topological (distance-based and

connectivity) Indices

Jyoti Singh, Basheerulla Shaik, Shalini Singh, Vijay K. Agrawal, Padmakar V.

Khadikar and Claudiu T. Supuran

Chemical Biology Drug Design-71, 244-259 (2008).

119. Mutagenicity of Nitrated Polycyclic Aromatic Hydrocarbons: A QSAR

Investigation

Jyoti Singh, Shalini Singh, Basheerulla Shaik, Neena Sohani, Vijay K. Agrawal,

P. V. Khadikar

Chemical Biology Drug Design-71, 230-243 (2008).


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120. Topological Modeling of Mutagenicity of Aromatic and Heteroaromic

Amines in Salmonella typhimurium TA98: Role of Hydrophobicity and

TopologicalIndices

Jyoti Singh, Vijay K. Agrawal, Padmakar V. Khadikar,

J. Indian Chem Soc.85, 517-535 (2008).

LIST OF Ph. D. AWARDED UNDER THE SUPERVISION OF

PROF. VIJAY K. AGRAWAL

1. Dr. Rajesh Kumar Srivastava (1994): Search for some new potential antimalarial drugs: A

quantum mechanical approach.

2. Dr. Mrs. Madhu Srivastava (1996): Quantitative structure-activity relationship studies on

some antitumour agents

3. Dr. Pradeep Mishra (1997): Quantitative structure-activity relationship studies on some

antiviral agents using regressin analysis

4. Dr. Sunil Kumar Soni (1998): Quantitative structure-activity relationship studies on some

antifungal agents

5. Dr. Sangeeta Sinha (1999): Theoretical designing of some antimalarial drugs using some

electronic parameters

6. Dr. Shahnaz Bano (2000):Use of quantitative structure-activity relationship study in designing

some potential bio-active drugs

7. Dr. Suja Joseph (2000): Quantitative structure activity relationship studies on some anti -

inflamatary agents8. Dr. Shailja Sachan (2000): Quantitative structure activity relationship studies on some

antihistaminic compounds

9. Dr. Rajneesh Chandra Srivastava (2001): QSAR studies on some antihypertensive agents

10. Dr. Sanjay Mishra: Some studies on water pollution due to mining activities around mining

area of Shahdol district. (2001)

11. Dr. Kamlesh Mishra (2001): QSAR. Studies on some anti-HIV agents

12. Dr. Neelu Singh (2001): QSAR studies on some sulfa drugs

13. Dr. Ravindra Shrivastava (2002): Topological modelling of activities of some drug

molecules

14.Dr. Ruchi Sharma (2002): QSAR studies on some sulfanilamide Schiff-base inhibitor

15.Dr.Sanjeev Chaturvedi(2002): QSAR studies on nonpolar narcosis

16.Dr. Rashmi Sohgaura (2003): On the use of topological indices in QSAR studies:

A case of antitumor drugs.

17.Dr. Jyoti Singh (2003): On topological modelling of QSAR : A multivariate analysis


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18.Dr. Sarvendra Singh Baghel (2003): QSAR studies on some biologically active organic

compounds.

19.Dr. Shachi Shrivastava (2004): Topological prediction of toxicity of some organic

compounds

20.Dr. Mrs. Jyoti Singh (2004): Prediction of Transport Properties Using Molecular Descriptors.

21.Dr. Arunendra K. Pandey (2005): QSPR studies of some sulfa drugs

22.Dr. Krishna Chandra Mishra (2005): Topological modeling of some Anti-HIV drugs

23.Dr. Mrs. Jyoti Shrivastava (2005): Use of Molecular Descriptors in Blood Brain Distribution

24.Dr. Kamal Singh (2006) : Topological modelling of some protein kinase inhibitors.

25.Dr. Meghna Banerjee (2006): QSAR studies on some CA inhibitors: Sulfa Drugs

26. Dr. Izhar Ahmad (2007): On Biological evaluation of Hydroxamic Acid.

RESEARCH SCHOLAR SUBMITTED UNDER THE SUPERVISION OFPROF. VIJAY K. AGRAWAL(2009)- 05

1. Vinay Kumar Dubey: Topological prediction of lipophilicity of some Drug.

Molecules.

2. Santosh Shukla: Computer Aided Modeling of Some Anti-hypertensive Drugs.

3. Bashirulla Shaik: Modeling Aquatic Toxicity by Using Topological Descriptors.

4. Mrs. Deepali Gupta: Prediction of Biological Activity of Some Organic Drug

Molecules.

5. Bruno Louis: Modeling of solubilities of some organic molecules.

Also guided 25 M.Phil. Students for their Projects.

40 BJ (MC) students for their Projects.

Curriculum Vitae

OfProf. (Dr.) Vijay K. AgrawalM.Sc., D. Phil (Alld.) PGD (Tokyo), FICS, MNASc.


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Director,National Institute of Technical Teachers

Training & Research, Shamla Hills,

Bhopal-462002 (M.P.)

(Ministry of Human Resource Development, Govt. of India)

curriculum vitae of vka

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