Designation: Professor and Head
Employee ID: 1400305
Qualification: Ph.D.(Chemistry), Postdoc(Computational Chemistry, UC Davis & U Mississippi

: Detailed Profile
About Faculty: 1. Professor (Selected) and Head, Department of Applied Chemistry, SGSITS, Indore (Oct 2006 to date) During the tenure as Professor I was entrusted with the additional responsibility of Heading the Department, apart from teaching, which was started with restructuring of curriculum to development of new infrastructure for laboratories. The department was developed by renovating, starting from installing new flooring to procurement of new advanced instruments including Atomic Absorption (Schimadzu), Rheometer (Brookfield), FTIR (Metrohm), Trace element analyzer (Thermo Nicolet) and Coulometer (Thermo Nicolet). I have developed a new advanced instrumentation lab in the department. During this tenure Laptops, Computer Systems, LCD Projector were procured for computational chemistry laboratory. Also, new Molecular Modeling software was procured for this lab. The details of research are given separately. 2. Reader (Selected) Organic Chemistry, School of Chemical Sciences, DA University Indore. Oct. 2000–Oct. 2006. During this period I undertook teaching to postgraduate students of School of Chemical Sciences, DAVV and encouraged them to undertake higher studies in Chemistry. The students were encouraged to appear in exams including NET, GATE, GRE etc. for which proper guidance was provided.
Education and Qualification:
S.No.    Degree Institute/University Specialization
1.

   M.Sc.

DAVV, INDORE, 1986 (X Position in Merit)

ORGANIC CHEMISTRY
2.

   Ph.D.

DAVV, INDORE, 1991

STUDIES ON METAL SALICYLHYDROXAMATES
3.

   POST DOCTORAL RESEARCH ASSOCIATE

UNIV. OF MISSISSIPPI, USA, 2002-2003

COMPUTATIONAL CHEMISTRY
4.

   POST DOCTORAL RESEARCH FELLOW

UNIV. OF CALIFORNIA, DAVIS, USA, 2000-2001

COMPUTATIONAL CHEMISTRY
5.

   PGDCA

MLC UNIV BHOPAL

COMPUTER APPLICATIONS
Work Experience:
S.No.EmployerDesignationDepartmentDate of Joining
 1.  Shri G.S. Institute of Technology and Science Professor and Head Applied Chemistry 04/10/2006 
2. Devi Ahilya Vishvavidyalaya, Indore Reader School of Chemical Sciences 05/10/2000
3. Devi Ahilya Vishvavidyalaya, Indore Lecturer School of Chemical Sciences 06/10/1989
Research Details: Pursuing research in the field of
1. Computational Chemistry
2. Computer Aided Drug Design
3. Protein Modeling
4. QSAR/QSPR/QSTR
PhD Supervision:
List of Ph.D. Candidates
  1. Arun Sikarwar: Studies on Spectra of Graphs of a series of Salicylhydroxamic acids. 2001
  2. Mamta Vyas: Modeling of Structure Activity Relationship: Studies on Bioactive Organic Systems. 2003.
  3. Ms. Swagata Gupta: Structure Based Drug Design Studies on HIV-1 Inhibitors: A Computational Modeling Approach 2010.
  4. Ms. Nilanjana Pancholi: Computational Molecular Modeling Studies on Anti–HIV1 Reverse Transcriptase Inhibitors 2011
  5. Urmila Rahuvanshi: Computational Modeling Studies on some Anti HIV-1 Analogous : A Docking and Virtual Screening Approach 2015
  6. Divya Dubey: Computational Methods in Drug Design: Molecular Modeling, Virtual Screening and Pattern Recognition Studies on HIV-1 Inhibitors and Proteins. 2015
  7. Taranh Bhati (Tomar ): In Silico Profiling of Lead Candidates: Computational Modeling Studies on Anti HIV-1 Analogous. 2015
List of M.Phil. Candidates Supervised for their Degree
  1. Miss Vandana Kelkar (1990 ) :Molecular Symmetry Point Group: A System Simulation
  2. Neena Jain (1991) Graph Theoretical Studies on Chemical Clusters: Some Topological Properties of Formation of Acetohydroxamic Acid.
  3. Miss Ranjana Agrawal (1991) Graph Theoretical Studies on Chemical Clusters: Topological Spectrum of Formohydroxamic Acid.
  4. B. Narayan Reddy (1992) Graph Theoretical Studies: A Study on Chemical Appliactions of Topology.
  5. M. Manoranjani (1992) Graph Theoretical Studies: Topological Study on some Alkyl Benzohydroxamates.
  6. S. Bharagava (1993) Graph Theoretical Studies on Substituted Triazines.
  7. A Pitambaran (1993) Graph Theoretical Studies on Some Substituted Pyrimidines
Publications:

List of Publications (Journal Papers, Conferences: Presented/Accepted)

 A. Journal Publications 

 

1.
In silico de novo Design of NNRTIs of HIV-1 : Functional Group Based Computational Molecular Modeling Approach
Urmila Raghuvanshi and Nitin S. Sapre
Indian Journal of Chemistry – 59A, 1484-1493, 2020
2.
De Novo Design of NNRTIs of HIV-1: A Molecular Docking and Virtual Screening Approach
Urmila Raghunvashi and Nitin Sapre
Research Journal of Chemistry and Environment, 24(5) 101-111, 2020
3.
In silico de novo design of novel NNRTIs: a bio-molecular modelling approach.
Nilanjana Jain (Pancholi), Swagata Gupta, Neelima Sapre, Nitin S. Sapre,
RSC Advances, 5, 14814-14827, 2015 (No. of Citations: 11)
 4.
Design of Novel Leads: Ligand based Computational Modeling Studies on Non-Nucleoside Reverse Transcriptase Inhibitors (NNRTIs) of HIV-1
Nilanjana Jain(Pancholi), Swagata A Gupta, Neelima Sapre, Nitin S. Sapre,
Molecular Biosystems (RSC), 315-325, 10, 2014 (No. of Citations: 07)
         5.        
Hybrid QSAR Studies on Dihydro-alkoxy-benzyl-oxopyrimidines (DABO) derivatives: A LigandBased Drug Design (LBDD) Approach
Nitin S. Sapre, Nilanjana Jain(Pancholi), Swagata A Gupta, Neelima Sapre, Vandana Rajopadhyay, Urmila Raghuvanshi, Divys Dubey and Tarang Bhati,
International Journal of Chemistry 55-76, 2(1), 2013
           6.      
Ligand based 3D-QSAR modelling studies on 2-Amino-6-aryl sulfonylbenzonitriles (AASBN) as Non-nucleoside Reverse Transcriptase Inhibitors of HIV-1
Nitin S. Sapre, Nilanjana Jain(Pancholi), Swagata A Gupta, Neelima Sapre,
RSC Advances, 10442-10451,  2013(No. of Citations: 08)
 7.
Computational modeling studies on anti-HIV-1 non-nucleoside reverse transcriptase inhibition by dihydroalkoxybenzyloxopyrimidines analogues: an electrotopological atomistic approach
Nitin S. Sapre, Tarang Bhati, Swagata Gupta, Nilanjana Pancholi, Urmila Raghuvanshi, Divya Dubey, Vandana Rajopadhyay, Neelima Sapre,
Journal of Biophysical Chemistry, 361-372, 2011 (No. of Citations: 05)
8.
A Group Center Overlap based Approach for '3D QSAR' studies on TIBO Derivatives.
Nitin S. Sapre, Swagata Gupta, Nilanjana Pancholi and Neelima Sapre,
Journal of Computational Chemistry 30(6) 922-933, 2009 (No. of Citations: 13)
9.
Computational Modeling of Substitution Effect on anti HIV-1 NNRTIs: Applicability of Kier Hall Electrotopological State (E-State) Index
Nilanjana Pancholi, Swagata Gupta, Nitin S. Sapre,
Internet Electronic Journal of Molecular Design 7, 55-67, 2008. ISSN 1538-6414 (No. of Citations: 04)
10.
Molecular docking studies on Tetrahydroimidazo-[4,5,1-jk][1,4]-benzodiazepinone (TIBO) Derivatives as HIV-1NNRT inhibitors
Nitin S. Sapre, Swagata Gupta, Nilanjana Pancholi and Neelima Sapre,
Journal of Computer Aided Molecular Design, 22, 69-80, 2008 (No. of Citations: 17)
 
11.
Computational Modeling of Tetrahydroimidazo-[4,5,1-jk][1,4]-benzodiazepinone (TIBO) derivatives: An Atomistic Drug Design Approach using Kier–Hall Electrotopological State (E–state) Indices.
Nitin S. Sapre, Nilanjana Pancholi, Swagata Gupta and Neelima Sapre,
Journal of Computational Chemistry 29(11), 1699-1706, 2008 (No. of Citations: 17)
 
12.
Data Mining using Template-based Molecular Docking on Tetrahydroimidazo-[4,5,1-jk][1,4]-benzodiazepinone (TIBO) Derivatives as HIV-1RT inhibitors,
Nitin S. Sapre, Swagata Gupta, Nilanjana Pancholi and Neelima Sapre,
Journal of Molecular Modeling 14(11) 1009-1021,2008 (No. of Citations: 03)
13.
Assessing Ligand Efficiencies using Template-based Molecular docking and Tabu-clustering on Tetrahydroimidazo-[4,5,1-jk][1,4]-Benzodiazepinone (TIBO) Derivatives as HIV-1RT inhibitors
Nitin S. Sapre, Swagata Gupta and Neelima Sapre,
Journal of Chemical Sciences 120(4)2008 (No. of Citations: 13)
 
14.
2-Dimensional Quantitative Structure-Activity Relationship Modeling Study of Glycine/ N-methyl-D-aspartate Antagonist Inhibition: Genetic Function Approximation vis-à-vis Multiple Linear Regression Methods.
Nitin S. Sapre, Nilanjana Pancholi, Swagata Guptaand Arun Sikarwar,
Acta Chemica Slovanica, 54, 797-804, 2007 (No. of Citations: 10)
15.
Molecular Modeling studies on 2-Amino-6-arylsulfonylbenzonitrile Analogues (AASBN) as Non-nucleoside Reverse Transcriptase Inhibitors (NNRTIs) of HIV-1: A QSPR Approach
Nitin S. Sapre, Nilanjana Pancholi, Swagata Gupta, Arun Sikarwar and Neelima Sapre,
Journal of Chemical Sciences, (formerly Proceeding of Indian Academy of Sciences, Bangalore)Vol. 119(6), 625–630, 2007. (No. of Citations: 07)
16.
QSAR and QSPR studies with principle eigen value of distance matrix
Arun Sikarwar, Nitesh Gupta, Nilanjana Pancholi, Swagata Gupta and Nitin S. Sapre,
Material Science Research Journal, 1(4) 153-156, 2007.
17.
A Comparative QSAR Study on 2-Amino-6-arylsulfonylbenzonitrile Analogues (AASBN) as Non-nucleoside Reverse Transcriptase Inhibitors (NNRTIs) of HIV-1
Nilanjana Pancholi, Nitin S. Sapre
Asian Journal of Chemistry 19, 1251-1261, 2007
18.
A QSPR study on salicylhydroxamic acids using Szeged index (Sz).   
NS Sapre, Arun Sikarwar, Padmakar V Khadikar,
Oxidation Communications 24(1), 38-47, 2001. (No. of Citations: 01)
 
19. 
QSAR modeling of salicylhydroxamic acid derivatives using Balaban index (J).   
NS Sapre, Arun Sikarwar, Padmakar V Khadikar,
Oxidation Communications 24(1), 28-37, 2001.  (No. of Citations: 05)
 
20.
A Comparative QSAR Study Using Wiener, Szeged and Molecular Connectivity Indices
M Mandloi, A Sikarwar, Nitin Sapre, Sneha Karmarkar and PV Khadikar,
Journal of Chemical Information and Computer Science, 40(1), 57-62, 2000. (No. of Citations: 38)
21.
Estimation of g-tensor of metal chelates using Wiener index.
PV Khadikar, NS Sapre, V. Agrawal and S. Kumar,
Indian Journal Of Chemistry Section A-Inorganic Bio-Inorganic Physical Theoretical & Analytical Chemistry, 39(N4), 386-388, 2000. (No. of Citations: 05)
22. 
The Study of Inhibition of DNA Synthesis by hydroxyuerea(s)
VK Agrawal, S. Bano, KC Mathur, PV Khadikar, S. Karmarkar, M. Mandloi and NS Sapre
Proceeding of Indian Academy of Sciences (Bangalore) 111(6), 697-708, 1999.
23.
A Comparative Study of the Wiener, Schultz and Szeged indices of cycloalkanes.
PV Khadikar, I Gutman, NS Sapre and others,
J. Serb. Chem. Soc., 62, 235-239, 1997. (No. of Citations: 25)
24.
Vibrational spectra, Thermodynamic functions and Mean Amplitude of Vibration for 3-nitrosalicylhydroxamic acid.
PV Khadikar, T Ghadirian, S Joshi, NS Sapre, S Karmarkar, S Karmarkar and B Pol, 
Chemica Acta Turcica, 22, 189-208, 1994.
25.
Thermal behaviour of salicylhydroxamic acids. Kinetic of Debrominations and decomposition of bromosalicylhydroxamate.
PV Khadikar, T Ghadirian and NS Sapre,
Revue Roumaine Dechemie 38, 1339-1350, 1993. (No. of Citations: 02)
26.
Dehydration kinetics of Copper(II)-chelates of Salicylhydrazide: A Thermogravimetric study.
PV Khadikar, T Ghadirian, P Suri and NS Sapre ,
Thermochimica Acta, 157, 203-213 1990. (No. of Citations: 01)
 
27.
Electron Spin Resonance studies on some Metal Salicylhydroxamates.
PV Khadikar, SM Ali, NS Sapre and B Pol,
Acta Chimica Hungarica, 125(5), 757-762, 1988. (No. of Citations: 02)
 
28.
Thermal decomposition of malato-aquo complex of Thallium(III). The mechanism of Thermal decomposition of Thallium(III)-malate trihydrate.
PV Khadikar and NS Sapre ,
Thermochimica Acta, 128, 55-68, 1988.
 
















































































































B. Participation and Scholarly Presentations in Conferences (Presented/Accepted)
 
B.I. International (17)

 

1.

In Silico Design of Novel NNRTIs: A Pharmacophore Based Molecular Modeling Approach

Urmila Raghuvanshi and Nitin S. Sapre

International Conference on Drug Discovery, Jawaharlal Nehru University, New Delhi, 8-10April 2017

2.

De novo in silico design of novel NNRTIs of HIV-1: A computational modeling approach,
Nitin S. Sapre

Accepted for Oral presentation at MOLECULAR MODELING IN CHEMISTRY AND BIOCHEMISTRY MolMod2016

3.

QSAR, docking and virtual screening studies on NNRTIs of HIV-1

Priyanka Mishra, Urmila Raguvanshi, Neha Gupta, Nilanjana Jain (Pancholi), Swagata Gupta and Nitin S. Sapre

Accepted for Oral presentation at Molecular Modeling In Chemistry And Biochemistry MolMod2016

4.

Computer Aided Drug Design: Design of Novel NNRTIs of HIV-1

Nitin S. Sapre

Accepted for Oral Presentation at First SQU Conference on Recent Trends in Drug Design, 2015

5.

Molecular Docking Studies on Non Nucleoside Reverse Transcriptase Inhibitors of HIV-1: A Datamining Approach

Nilanjana Pancholi andNitin S. Sapre

Accepted for Poster Presentation at First SQU Conference on Recent Trends in Drug Design, 2015

6.

In Silico CADD Studies On Acylthiocarbamate Derivatives

Urmila Raghvuvanshi and Nitin S. Sapre

Accepted for Poster Presentation at First SQU Conference on Recent Trends in Drug Design, 2015

7.

Computational Modelling of Substitution effect on anti-HIV-1 Non Nucleoside Reverse Transcriptase Inhibitors: Quantitative Structure Activity Relationship Application of Kier-Hall Electrotopological State (E-state) Index.

Swagata Gupta, Nilanjana Panchoi, Nitin S. Sapre, Arun Sikarwar

Poster, First International Conference on Chemoinformatics, NCL Pune 2007

8.

A Comparative Modeling Study of Glycine/NMDA Antagonist Inhibition: Study of Effect of Substitutions Using Kier-Hall E-State Index

Nilanjana Panchoi, Swagata Gupta, Nitin S. Sapre, Arun Sikarwar

Poster, First International Conference on Chemoinformatics, NCL Pune 2007

9.

Computational Modelling Studies on 2-Amino 6-aryl-sulphonylbenzonitriles as Non-Nucleoside Reverse Transcriptase Inhibitors of HIV-1: A QSPR Approach.

Nitin S. Sapre, Nilanjana Pancholi

Accepted for presentation at World Scientific and Engineering Academy and Society Conference MCBC06, Cavtat, Croatia June 12-14 2006.

10.

2D and 3D QSAR studies on some Antibacterial Organic System: A Molecular Orbital and CoMFA-CoMSIA Approach.

Nitin S. Sapre and Arun Sikarwar

Poster, Third INDO-US Workshop on Mathematical Chemistry, University of Minnesota, Duluth, August: 2-7, 2003.

11.

2D and 3D Modeling of Carcinogens: A comparative study using GFA, MLR, CoMFA and CoMSIA.

Nitin S. Sapre

Poster, Third INDO-US Workshop on Math. Chem., Univ. of Minnesota, Duluth, Aug. 2-7 2003.

12.

Computational modeling studies on anti tumor activity of bis-acridines against Murine 388 leukemia cells, Murine Lewis lung cells (LLc) and Human Jurkat leukemia wild-type cells(JLc): A graph theoretical approach.

Nitin S. Sapre

Accepted for Poster Presentation in the Division of Computers in Chemistry for the 226th ACS National Meeting, New York, NY, September 7-11, 2003 in New York.

13.

2D And 3D QSAR Modeling of Anti-HIV-1 TIBO Derivatives: A Comparative Study Using ANN and Multiple Linear Regression Methods.

MA Avery and Nitin S. Sapre

Oral presentation in Computers in Chemistry Division's program at the 225th ACS National Meeting in New Orleans from March 23-27, 2003.

14.

2D QSAR Modeling of NMDA Derivatives: A Comparative Study Using GFA and Multiple Linear Regression Methods.

MA Avery and Nitin S. Sapre

Oral presentation in Computers in Chemistry Division's program at the 225th ACS National Meeting in New Orleans from March 23-27, 2003.

15.

Comparative studies of Wiener, Randic, Szeged, Balaban and Schultz MTI on some Organic Systems.

Nitin S Sapre

Accepted for presentation at Harry Wiener International Conference on the Role of Topology in Chemistry, March 20-24, 2001, University of Georgia Athens, Georgia.

16.

A Comparative QSAR study on some Anti HIV-1 drugs

Nitin S. Sapre

Oral Presentation, Second INDO-US Workshop on Mathematical Chemistry, University of Minnesota, Duluth, May 30th-June 3rd 2000.

17.

Correlation Potential of Wiener vis-à-vis Szeged Index : Matrix Determinant and Eigen Values of monocyclic Molecules.

NS Sapre and PV Khadikar

Poster, First Indo-US Workshop on Mathematical Chemistry, Santiniketan W.B., INDIA, Jan 1998
 
 
B.II. National (27):
 
1.  
De Novo Design of NNRTIs of HIV-1: A Molecular Docking and Virtual Screening Approach
Urmila Raghuvanshi and Nitin S. Sapre
Poster Presentation at 107 Indian Science Congress, Jan. 2020.
 
2.  
Appraising ligand proficiencies by performing template-based molecular docking on Acylthiocarbamates (ATC) derivatives as HIV-1RT Inhibitors.
Urmila Raghuvanshi and Nitin S. Sapre
Poster Presentation at 107 Indian Science Congress, Jan. 2020.
3.  
Homology modelling studies on 1JLA : Structural Non-nucleoside Reverse Transcriptase Receptor Protein
Swagata Gupta, Nilanjana Jain(Pancholi), Deepika Geedkar and Nitin S. Sapre
Poster Presentation 23rd CRSI National Symposium in Chemistry, (CRSI-NSC-23) IISER Bhopal 13-15 July 2018.
 
4.  
Modelling Studies on Non-nucleoside Reverse Transcriptase Receptor Protein (1JLQ): A Homology Modelling Approach
Nilanjana Jain(Pancholi), Swagata Gupta, Deepika Geedkar and Nitin S. Sapre
Poster Presentation 23rd CRSI National Symposium in Chemistry, (CRSI-NSC-23) IISER Bhopal 13-15 July 2018.
 
5.  
HIV-1 Protease Proteins: A Comparative Computational Modelling Study
Deepika Geedkar , Nilanjana Jain(Pancholi), Swagata Gupta and Nitin S. Sapre
Poster Presentation 23rd CRSI National Symposium in Chemistry, (CRSI-NSC-23) IISER Bhopal 13-15 July 2018.
 
6.  
Computational Modeling Studies on Protease Proteins of HIV-1
Deepika Geedkar, Nilanjana Jain(Pancholi), Swagata Gupta and Nitin S. Sapre
Poster Presentation 22ndCRSI, National Symposium in Chemistry, PRU, Raipur1-4 Feb. 2018
7.  
Urmila Raghuvanshi and Nitin S. Sapre
Poster Presentation 22nd CRSI, National Symposium in Chemistry, PRU, Raipur 1-4 Feb. 2018
8.  
Design of Novel NNRTIs of HIV-1: A Ligand based Computational Modeling Approach
Nilanjana Jain (Pancholi), Swagata Gupta, Neelima Sapre, Nitin S. Sapre
Poster Presentation 8th MID CRSI, National Symposium in Chemistry, NEIST, Jorhat, 10th-12th July 2014
9.  
Pharmacophore Based Computational Molecular Modeling Studies on AASBN as NNRTIs of HIV-1: Studies on AASBN derivatives
Swagata Gupta, Nilanjana Jain (Pancholi)b, Neelima Sapre, Nitin S. Sapre
Poster Presentation 8th MID CRSI, National Symposium in Chemistry, NEIST, Jorhat, 10th-12th July 2014
 
10.
A Pharmacophore Based Molecular Modeling Studies on Acylthiocarbamates (ATC) HIV-1 Non-Nucleoside Reverse Transcriptase Inhibitors
Urmila Raghuvanshi, Swagata Gupta and Nitin S. Sapre
Poster Presentation 8th MID CRSI, National Symposium in Chemistry, NEIST, Jorhat, 10th-12th July 2014
 
11. 
Template-based Molecular docking studies followed by Tabu-Clustering- An Efficient Tool for Datamining.
Swagata Gupta, Nilanjana Jain(Pancholi), Neelima Sapre and Nitin S. Sapre
Poster Presentation 15 CRSI, National Symposium in Chemistry, BHU Varanasi, 31 Jan. 2013-03 Feb 2013
12.
Ligand-Protein interaction studies on NNRTIs of HIV-1 using a Simple Docking Approach: A Comparison of DABO and AASBN derivatives.
Nilanjana Jain(Pancholi), Swagata Gupta, Neelima Sapre and Nitin S. Sapre
Poster Presentation 15 CRSI, National Symposium in Chemistry, BHU Varanasi, 31 Jan. 2013-03 Feb 2013
13.
2D QSAR, 3D QSAR and Docking Studies on SJ3366 congeners as NNRTIs of HIV-1
Urmila Raghuvanshi, Divya Dubey, Swagata Gupta, Nilanjana Jain (Pancholi), Neelima Sapre, Vandana Rajopadhyay and Nitin S. Sapre
Accepted for Poster Presentation 12 MID CRSI, National Symposium in Chemistry, CDRI Lucknow, 21-22 July 2012
14.
Molecular Modelling Studies on some HDAC Inhibitors: A Pharmacophore based approach
Swagata Gupta, Nitin S. Sapre, Nilanjana Jain (Pancholi), Neelima Sapre
Accepted for Poster Presentation 12 MID CRSI, National Symposium in Chemistry, CDRI Lucknow, 21-22 July 2012
15.
Pharmacophore based Modelling studies on 1-[(2-hydroxyethoxy) methyl]-6-(phenylthio) thymine (HEPT) : A class of Non-nucleoside Reverse Transcriptase Inhibitors (NNRTIs) of HIV-1
Nilanjana Jain (Panholi), Swagata Gupta, Nitin S. Sapre, Neelima Sapre
Accepted for Poster Presentation MID CRSI, National Symposium in Chemistry, CDRI Lucknow, 21-22 July 2012
16.
Docking Studies On Dabo Derivative With Hiv-1 Proteins: A Score Based Assessment Of Binding Affinities.
Tarang Bhati, Urmila Raghuvanshi, Divya Dubey, Vandana Rajopadhyay, Nilanjana Pancholi, Neelima Sapre, Swagata Gupta, Nitin S. Sapre, Poster Presentation First Zonal Meeting of CRSI, NCL Pune, 13-14 May 2011
 
17.
Comparative Molecular Modelling Studies Of DABO Analogues Using Graph Theoretical And Kier-Hall Electrotopological State Indices: A Ligand Based Approach.
Urmila Raghuvanshi, Divya Dubey, Vandana Rajopadhyay, Tarang Bhati, Nilanjana Pancholi, Neelima Sapre, Swagata Gupta, Nitin S. Sapre, Poster Presentation First Zonal Meeting of CRSI, NCL Pune, 13-14 May 2011
18.
Structure Based Drug Design Studies: Novel Applications to Ligand-Protein Interactions.
Urmila Raghuvanshi,  Swagata Gupta, Nilanjana Jain (Pancholi),Tarang Bhati , Divya Dubey Vandana Rajopadhyay,Neelima Sapre and Nitin S. Sapre
Poster at National Conference on Green Chemistry and Enviourment, Department of Chemistry, Mata Jija Bai Govt. Girls’ P.G. College, Indore (M.P.), 8-9 Oct. 2011
19.    
Protein –Ligand Interaction Modeling Studies on Human Immunodeficiency Virus (HIV-1) Agents using a Group Center Overlap based Approach.
Swagata Gupta, Nilanjana Jain (Pancholi), Tarang Bhati, Urmila Raghuvanshi, Divya Dubey, Vandana Rajopadhyay,Neelima Sapre and Nitin S. Sapre
Poster at National Conference on Green Chemistry and Enviourment, Department of Chemistry, Mata Jija Bai Govt. Girls’ P.G. College, Indore (M.P.), 8-9 Oct. 2011
20.
In-Silico Modeling Studies on Dihydroalkoxybenzyloxopyrimidines (DABOs) Derivatives as NNRT Inhibitors of HIV-1
Tarang Bhati, Nilanjana Pancholi, Swagata Gupta, Neelima Sapre, Nitin S. Sapre
Poster Presentation 12 MID CRSI, National Symposium in Chemistry, IICT Hyderabad, 4-7 Feb 2010
21.
Template-based Molecular Docking studies on 2-amino-6-arylsulphonylbenzonitriles as non-nucleoside reverse transcriptase inhibitors of HIV-1
Nilanjana Pancholi, Swagata Gupta, Neelima Sapre, Nitin S. Sapre
Poster Presentation 12 MID CRSI, Nat.  Symposium in Chem, IICT Hyderabad, 4-7 Feb 2010
 
22.
Molecular docking studies on 5-alkyl-2-alkylamino-6-(2,6-difluorophenylalkyl)-3,4 dihydropyrimidin-4(3H)-ones as nonnucleoside reverse transcriptase inhibitors of HIV-1
Nilanjana Pancholi, Swagata Gupta, Neelima Sapre and Nitin S. Sapre.
Poster, National Symposium in Chemistry NSC11, NCL Pune, 6-8 February 2009.
23.
Structure Based Drug Design Studies on HIV-1 Non Nucleoside Reverse Transcriptase Inhibitors: A Datamining approach
Swagata Gupta, Nilanjana Pancholi, Neelima Sapre and Nitin S. Sapre
Poster, National Symposium in Chemistry NSC11, NCL Pune, 6-8 February 2009.
24.
Simple Docking studies on dihydroalkoxybenzyloxopyrimidine (DABO) analogues as Non-Nucleoside Reverse Transcriptase Inhibitors of HIV-1
Tarang Bhati, Nilanjana Pancholi, Swagata Gupta, Shikha Gupta,  Urmila Raghuvanshi, Neelima Sapre, Nitin S. Sapre
Poster, National Symposium in Chemistry 4 MID CRSI, Indore  24th July 2009
25.
Computational Modeling Studies on Anti-HIV-1 Compounds
Nitin S. Sapre
Invited Talk,  First International Conference on Chemoinformatics, NCL Pune 2007
26.
Molecular Modelling Studies on 2-Amino 6-aryl-sulphonylbenzonitriles as Non-Nucleoside Reverse Transcriptase Inhibitors of HIV-1.
Nilanjana Pancholi and Nitin S. Sapre
Poster, National Symposium in Chemistry NSC8, IIT Bombay, 3-5 February 2006.
 
27.
Molecular descriptors for structure property studies.
PV Khadikar and NS Sapre
Oral Presentation, 64th Annual Session of The National Academy of Sciences, Punjab Agriculture University, Chandigarh (Sept-Oct. 1994).
Projects:
S.No.TypeTitleYear
 1      
Testing & Consultancy:
S.No.TypeTitleYear
 1      
Other Details:
S.No.TypeTitleYear
 1