Dr. (Mrs.) Nanda Ghoshal
Scientist
E-II
PhD, Calcutta University,1983
Contact - nghoshal@iicb.res.in
, Nanda.ghoshal@gmail.com
Current
Research Interest
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In-silico studies for rational drug design using QSAR, 3D-QSAR, and 4D QSAR studies including RI and RD QSAR studies.
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Receptor Surface Modelling using 3D-QSAR and 4D-QSAR studies.
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Molecular Modelling for Structure determination.
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Docking and Ligand-Receptor Interaction Studies including MD simulation for Drug Designing
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Virtual screening using structure based and ligand based pharmacophore generation.
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Evolving novel methodologies for lead identification using integrated in-silico approaches.
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| Names
of the group members including regular staff
with designation and research fellows: |
| Fellow/RA |
Staff |
- Mr. Nahren Manuel (SRF- CSIR)
- Mr. R. S. K. Vijayan (SRF- CSIR)
- Mr.Prabu M (Project Assistant)
- Ms Indrani Bera (Project Assistant)
- Ms. Lakshmi Maganti (Project Assistant)
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- Dr.Aparna Laskar , T.O.
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List
of important Publications:
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R. S. K. Vijayan, Indrani Bera, M. Prabu, Sangita Saha, and Nanda Ghoshal, Combinatorial Library Enumeration and Lead Hopping using Comparative Interaction Fingerprint Analysis and Classical 2D QSAR Methods for Seeking Novel GABAA α3 Modulators, J. Chem. Inf. Model. 2009, 49, 2498–2511.
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Vijayan RS, Prabu M, Mascarenhas NM, Ghoshal N.; Hybrid structure-based virtual screening protocol for the identification of novel BACE1 inhibitors; J Chem Inf Model., 2009, 49, 647-657.
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Savita Bhutoria andNanda Ghoshal, A Novel Approach for the Identification of Selective Anticonvulsants Based on Differential Molecular Properties for TBPS Displacement and Anticonvulsant Activity: An Integrated QSAR Modeling, QSAR and Combinatorial Science 2008, 27, No. 7, 876 – 889.
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R.S.K. Vijayan, Nanda Ghoshal, Structural basis for ligand recognition at the benzodiazepine binding site of GABAA a3 receptor, and pharmacophore-based virtual screening approach. Journal of Molecular Graphics and Modelling, 2008, 27, 286-298.
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Mascarenhas NM,Ghoshal N., Combined Ligand and Structure Based Approaches for Narrowing on the Essential Physicochemical Characteristics for CDK4 Inhibition. J Chem Inf Model. 2008, 48, 1325-1336.
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An efficient tool for identifying inhibitors based on 3D-QSAR and docking using feature-shape pharmacophore of biologically active conformation : A case study with CDK2/CyclinA. Nahren Manuel Mascarenhas, N. Ghoshal, Eur. J. Med. Chem., 2008, 43, 2807-2818.
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Sharma, P., Chhabra S., Rai N., and Ghoshal, N. Exploration of Rate-Limiting Conformational State for 5-[(7-Chloro-4-quinolinyl)amino]-3-[(alkylamino)methyl][1,1¢-biphenyl]-2-ols and Nˆ-Oxides (Tebuquine Analogues) for Antimalarial Activity Using Molecular Shape Analysis and Molecular Field Analysis Studies. Journal of chemical information and modeling, 2007, 47, 1087-1096.
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Sharma, P., Ghoshal, N. Exploration of a binding mode of benzothiazol-2-yl- acetonitrile pyrimidine core base derivatives as potent c-Jun N-terminal kinase-3 inhibitors and 3D-QSAR analyses. Journal of chemical information and modeling, 2006, 46, 1763-1774.
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A 3D-QSAR of N-substituted 4-amino3-3-dialkyl-2 (3H)-furanone GABAA receptor modulators based on Receptor Surface Analysis. Savita Bhutoria, Prasenjit K. Mukherjee, Sandeep Chhabra and Nanda Ghoshal. Letters in Drug Design and Discovery, 2006, 3, 1-8.
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Arpita Neogi, Tirtha Pada Majhi, Nanda Ghoshal and Partha Chattopadhyay, Radical cyclization of exo-methylene furanose derivatives: An expedient approach to the synthesis of chiral tricyclic nucleosides and benzannulated oxepine derivatives, Tetrahedron, 2005, 61, 9368-74.
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N.Ghoshal, Prasenjit.K.Mukherjee, 3D-QSAR of N-substituted 4-Amino-3, 3-dialkyl-2 (3H)-Furanone GABA Receptor Modulators using Molecular Field Analysis and Receptor surface modelling study. Bioorganic and Med. Chem. Lett., 2004, 14, 103-109.
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