Nidhi Singh, Ph.D.

Affiliations: 
2007 The University of Mississippi, USA 
Area:
Pharmaceutical Chemistry
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Christopher R. McCurdy grad student 2007 The University of Mississippi
 (Part A. Protein modeling in rational drug design: Case study with deoxyxylulose phosphate reductoisomerase enzyme. Part B. Delineating a powerful virtual screening approach for GPCRs: Application to salvinorin A, a selective kappa opioid receptor agonist.)
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Publications

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Nieto MJ, Pierini AB, Singh N, et al. (2012) SAR analysis of new dual targeting fluoroquinolones. Implications of the benzenesulfonyl group. Medicinal Chemistry (ShāRiqah (United Arab Emirates)). 8: 349-60
Singh N, Warshel A. (2010) Absolute binding free energy calculations: on the accuracy of computational scoring of protein-ligand interactions. Proteins. 78: 1705-23
Singh N, Warshel A. (2010) A comprehensive examination of the contributions to the binding entropy of protein-ligand complexes. Proteins. 78: 1724-35
Nolan T, Singh N, McCurdy CR. (2009) Ligand macromolecule interactions: theoretical principles of molecular recognition. Methods in Molecular Biology (Clifton, N.J.). 572: 13-29
Dayan FE, Singh N, McCurdy CR, et al. (2009) Beta-triketone inhibitors of plant p-hydroxyphenylpyruvate dioxygenase: modeling and comparative molecular field analysis of their interactions. Journal of Agricultural and Food Chemistry. 57: 5194-200
Singh N, Warshel A. (2009) Toward accurate microscopic calculation of solvation entropies: extending the restraint release approach to studies of solvation effects. The Journal of Physical Chemistry. B. 113: 7372-82
Singh N, Nolan TL, McCurdy CR. (2008) Chemical function-based pharmacophore development for novel, selective kappa opioid receptor agonists. Journal of Molecular Graphics & Modelling. 27: 131-9
Singh N, Avery MA, McCurdy CR. (2007) Toward Mycobacterium tuberculosis DXR inhibitor design: homology modeling and molecular dynamics simulations. Journal of Computer-Aided Molecular Design. 21: 511-22
Singh N, Chevé G, Avery MA, et al. (2007) Targeting the methyl erythritol phosphate (MEP) pathway for novel antimalarial, antibacterial and herbicidal drug discovery: inhibition of 1-deoxy-D-xylulose-5-phosphate reductoisomerase (DXR) enzyme. Current Pharmaceutical Design. 13: 1161-77
Dayan FE, Duke SO, Sauldubois A, et al. (2007) p-Hydroxyphenylpyruvate dioxygenase is a herbicidal target site for beta-triketones from Leptospermum scoparium. Phytochemistry. 68: 2004-14
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