Beckman Research Institute 

City of Hope National Medical Center, USA

Email: NVaidehi@coh.org

Qualifications

Ph.D., Indian Institute of Technology, India

Publications(Selected)

1. Vaidehi, N., Floriano, W.B.,   Trabanino, R., Hall, S., Freddolino, P., Choi, E.J. Zamanakos, G., and William A, Goddard III, Structure and Function prediction for G-Protein Coupled Receptors,Proc. Natl. Acad. Sci., USA, 99, 12622-12627,2002.
2. Trabanino, R., Hall, S.E., Vaidehi, N., Floriano, W., Goddard, W.A.; First Principles Prediction of the structure and Function of G protein-coupled receptors: validation for bovine rhodoBiophys. J., 86, 1904-1921, (2004).
3. Freddolino, P., Kalani, M.Y., Vaidehi, N., Floriano, W., Hall, S.E., Trabanino, R., Kam, V.W.T., Goddard, W.A.; Predicted 3D structure for the humanb2 adrenergic receptor and its binding site for agonists and antagonists.Proc. Natl. Acad. Sci. USA101, 2736-2741 (2004).
4. Kalani, M.Y., Vaidehi, N., Hall, S.E., Trabanino, R., Freddolino, P., Kalani, M.A.,Floriano, W.B., Kam, V., Goddard, W.A., Iii; The Predicted 3d Structure Of The Human D2 Dopamine Receptor And The Binding Site And Binding Affinities For Agonists And Antagonists.Proc. Natl. Acad. Sci. USA101, 3815-3820 ,2004.
5. Peng, Y.C., Hall, S.E. Goddard III, and Vaidehi N.2006, The Predicted 3D structures of Human Muscarinic acetylcholine receptor M1 with agonist or antagonist bound,ChemMedChem,1, 878-890.
6. Vaidehi, N., Schyler S., Trabanino R.J., Floriano, W.B., Abrol, R., Sharma S., Kochanny M., Koovakkat, S., Dunning L., Liang M., Fox J.M. de Mendoca F.L., Pease J., Goddard III, W.A and Horuk R.,2006, Predictions of CCR1 Chemokine Receptor Structure and BX 471 Antagonist Binding Followed By Experimental Validation,J. Biol. Chem. 281(37):27613-20.
7. Trabanino R.J., Vaidehi, N., and Goddard W.A. 2006, Exploring the molecular mechanism for color distinction in humans, J. Phys. Chem B, 110, 17230-17239.
8. Ryman-Rasmussen, J.P., Griffith A., Oloff S., Vaidehi, N., Brown J.T., Goddard W.A., and Mailman R.B.,2007, Functional Selectivity of dopamine D2 receptor agonists in regulating the fate of internalized receptors, Neuropharmacology, 52, 562-575.
9. Heo,J., Kan, S.K., Vaidehi, N., Wendel, J., Kekenes-Huskey, P., and Goddard III, W.A.,2007, Prediction of the 3D structure of FMRF-amide Neuropeptides bound to the mouse MrgC11 GPCR and Experimental Validation,ChemBioChem, 8, 1527-1539.
10. Li, Y., Zhu, F., Vaidehi, N. et al ,2007, Prediction of the 3D Structure and Dynamics of Human DP GPCR bound to agonist and antagonist,J. Am. Chem. Soc.,129, 10720-10731.
11. Bhattacharya S., Hall S.E., Li H., Vaidehi N. Ligand-stabilized conformational states of human beta(2) adrenergic receptor: insight into G-protein-coupled receptor activation. Biophys J.2008, 94(6):2027-42.
12. Bhattacharya, S., Hall, S.E. and Vaidehi N.,2008, Agonist induced conformational changes in bovine rhodopsin: Insight into activation of G-protein coupled receptors, J. Mol. Biol. 382, 539-555.
13. Hall, S.E., Roberts, K., and Vaidehi, N.,2009,Position of helical kinks in membrane protein crystal structures and the accuracy of computational prediction, J. Mol. Graph. & Mod. 27, 944-950.
14. Hall S.E., Mao, A. Nicolaidou, V., Finelli, M., Wise, E.L., Nedjai, B., Kanjanapangka, J., Harirchian, P., Chen, D., Selchau, V., Ribeiro, S., Schyler, S., Pease, J.E., Horuk R., and Vaidehi, N. 2009, Elucidation of binding sites of dual antagonists in the human chemokine receptors CCR2 and CCR5.Mol. Pharm. 75, 1325-1336.
15. Vaidehi, N., Pease, J. and Horuk R.,2009, Modeling Small Molecule Compound Binding to G-Protein Coupled Receptors,Methods in Enzymology, 460, 263-288.
16. Lin J, Buettner R, Yuan YC, Yip R, Horne D, Jove R, Vaidehi N.2009, Molecular dynamics simulations of the conformational changes in signal transducers and activators of transcription, J Mol Graph Model. 28(4):347-56.
17. Bhattacharya S, and Vaidehi N.2010, Computational Mapping of the Conformational Transitions in Agonist Selective Pathways of a G-Protein Coupled Receptor,J Am Chem Soc. 132(14):5205-14.
18. Balaraman, G., Bhattacharya, S., and Vaidehi, N.,2010, S tructural insights into conformational stabilityof wild type and mutant β1-adrenergic receptor, BioPhys. J., 99(2):568-77.
19. Bhattacharya et al2010, A llosteric Antagonist Binding Sites in Class B GPCRs: Corticotropin Receptor 1,J Comput Aided Mol Des. 8, 659-74.
20. Vaidehi, N., 2010, Dynamics and Flexibility of G-protein coupled receptor conformations and its relevance to drug design,Drug Discovery Today, 15, 951-957 – invited review.
21. Vaidehi N., and Kenakin T.,2010,Conformational Ensembles of Seven Transmembrane Receptors and their Relevance to Functional Selectivity,Curr. Opinion. Pharmacology,10, 775-781- invited review.
22. Buettner R., et al,2011, Alkylation of Cysteine 468 in Stat3 Defines a Novel Site for Therapeutic Development,ACS. Chem. Biol.Feb 16.
23. Lam AR, Bhattacharya S, Patel K, Hall SE, Mao A, Vaidehi N.2011Importance of receptor flexibility in binding of cyclam compounds to the chemokine receptor CXCR4J Chem Inf Model. 24;51(1):139-47.
24. Niesen, MJ, Bhattacharya S and Vaidehi N.,2011, The role of conformational ensembles in ligand recognition in G-protein coupled receptors,J. Am. Chem. Soc. 133(33):13197-204
25. Lu, R, Niesen MJ, Hu, W, Vaidehi N., and Shively JE,2011, Interaction of Actin with CEACAM1 receptor in liposomes is Ca and phospholipid dependent,J. Biol. Chem., 286, 27528-36.
26. Balaraman G., Park IH, Jain A., and Vaidehi N.,2011, Folding of Small proteins using constrained molecular dynamics,J. Phys. Chem B, 115, 7588-96.
27. Vaidehi, N. and Bhattacharya S.,2011, Multiscale Computational Methods for Mapping Conformational Ensembles of G-Protein Coupled Receptors,Adv. Prot. Chem. & Struct. Biol. 85, 253-80. invited review.
28. Nedjai B, Li H, Stroke IL, Wise EL, Webb ML, Merritt JR, Henderson I, Klon AE, Cole AG, Horuk R, Vaidehi N, Pease JE.2011, Small-molecule chemokine mimetics suggest a molecular basis for the observation that CXCL10 and CXCL11 are allosteric ligands of CXCR3.Br J Pharmacol. 2011 Sep 6. Epub.