Santosh Khedkar's profile

I'm male

What I do

Presently working as Post-doctoral researcher in BIDMC/HMS. I am a Computational Medicinal Chemist and use computer programs to solve the chemistry (& biology) problems, particularly related to drug design and discovery.

Affiliations

Past

Location

City:
Boston, Massachusetts, United States
Hub:
Boston

Interests

Virtual Screening of small organic molecule databases with ligand-based (e.g., similarity or pharmacophore) and receptor structure-based (docking) methods. Structure based drug design. Molecular Dynamics Simulation. QSARs. Quantum mechanical calculations. Molecular Electrostatic Potential maps. Organic synthesis, etc…

Projects

Santosh Khedkar has not yet listed any projects.

Publications

  • Khedkar S, Malde A, Coutinho E. Design of Inhibitors of the MurF Enzyme of Streptococcus pneumoniae Using Docking, 3D-QSAR, and de Novo Design J. Chem. Inf. Model. 47 (5) , 1839 - 1846 (2007) doi: 10.1021/ci600568u

  • Khedkar SA, Malde AK and Coutinho EC. In Silico Screening of Ligand Databases: Methods and Applications Indian Journal of Pharmaceutical Sciences 68 , 689-696 (2007)

  • Khedkar SA, Malde AK and Coutinho EC.. CoMFA Study of Distamycin Analogs Binding to the Minor-groove of DNA: A Unified Model for Broad-spectrum Activity Journal of Molecular Modeling 13 , 1099-1108 (2007)

  • Khedkar SA, Malde AK and Coutinho EC.. Inhibition of methionine-S-adenosyltransferase of M. smegmatis and M. tuberculosis: Homology Modelling, Docking and De novo Inhibitor Design Internet Electronic Journal of Molecular Design 6 , 151-166 (2007)

  • Khedkar SA, Malde AK, Coutinho EC and Srivastava S.. Pharmacophore Modeling in Drug Discovery and Development: An Overview Medicinal Chemistry 3 , 187–197 (2007)

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