Publications by authors named "Santosh A Khedkar"

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Identification of Novel Non-secosteroidal Vitamin D Receptor Agonists with Potent Cardioprotective Effects and devoid of Hypercalcemia.
Santosh A Khedkar, Mohammed A Samad, Sangita Choudhury, Ji Yoo Lee, Dongsheng Zhang

Sci Rep· August 2017

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Inhibition of serum and glucocorticoid regulated kinase-1 as novel therapy for cardiac arrhythmia disorders.
Vassilios J Bezzerides, Aifeng Zhang, Ling Xiao, Bridget Simonson, Santosh A Khedkar

Sci Rep· March 2017

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Discovery of small molecule inhibitors to Krüppel-like factor 10 (KLF10): implications for modulation of T regulatory cell differentiation.
Santosh A Khedkar, Xinghui Sun, Alan C Rigby, Mark W Feinberg

J Med Chem· February 2015

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Successful applications of computer aided drug discovery: moving drugs from concept to the clinic.
Tanaji T Talele, Santosh A Khedkar, Alan C Rigby

Curr Top Med Chem· September 2010

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Current computational approaches in medicinal chemistry.
Santosh A Khedkar

Curr Top Med Chem· September 2010

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Withanolide A and asiatic acid modulate multiple targets associated with amyloid-beta precursor protein processing and amyloid-beta protein clearance.
Sachin P Patil, Sarah Maki, Santosh A Khedkar, Alan C Rigby, Christina Chan

J Nat Prod· July 2010

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Binding of lipoic acid induces conformational change and appearance of a new binding site in methylglyoxal modified serum albumin.
George Suji, Santosh A Khedkar, Sreelekha K Singh, Nand Kishore, Evans C Coutinho

Protein J· June 2008

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A comprehensive analysis of the thermodynamic events involved in ligand-receptor binding using CoRIA and its variants.
Jitender Verma, Vijay M Khedkar, Arati S Prabhu, Santosh A Khedkar, Alpeshkumar K Malde

J Comput Aided Mol Des· February 2008

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Design of inhibitors of the MurF enzyme of Streptococcus pneumoniae using docking, 3D-QSAR, and de Novo design.
Santosh A Khedkar, Alpeshkumar K Malde, Evans C Coutinho

J Chem Inf Model· November 2007

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CoMFA study of distamycin analogs binding to the minor-groove of DNA: a unified model for broad-spectrum activity.
Santosh A Khedkar, Alpeshkumar K Malde, Evans C Coutinho

J Mol Model· October 2007

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The B(OH)-NH Analog Is a Surrogate for the Amide Bond (CO-NH) in Peptides:  An ab Initio Study.
Alpeshkumar K Malde, Santosh A Khedkar, Evans C Coutinho

J Chem Theory Comput· March 2007

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Pharmacophore modeling in drug discovery and development: an overview.
Santosh A Khedkar, Alpeshkumar K Malde, Evans C Coutinho, Sudha Srivastava

Med Chem· March 2007

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Stationary Points on the PES of N-Methoxy Peptides and Their Boron Isosteres:  An Ab Initio Study.
Alpeshkumar K Malde, Santosh A Khedkar, Evans C Coutinho

J Chem Theory Comput· November 2006

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Comparative residue interaction analysis (CoRIA): a 3D-QSAR approach to explore the binding contributions of active site residues with ligands.
Prasanna A Datar, Santosh A Khedkar, Alpeshkumar K Malde, Evans C Coutinho

J Comput Aided Mol Des· June 2006

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The ω, φ, and ψ Space of N-Hydroxy-N-methylacetamide and N-Acetyl-N '-hydroxy-N '-methylamide of Alanine and Their Boron Isosteres.
Alpeshkumar K Malde, Santosh A Khedkar, Evans C Coutinho

J Chem Theory Comput· March 2006

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Comparative protein modeling of methionine S-adenosyltransferase (MAT) enzyme from Mycobacterium tuberculosis: a potential target for antituberculosis drug discovery.
Santosh A Khedkar, Alpeshkumar K Malde, Evans C Coutinho

J Mol Graph Model· January 2005

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