NMR and MD studies combined to elucidate inhibitor and water interactions of HIV-1 protease and their modulations with resistance mutations
Author:
Funder
National Institute of General Medical Sciences
Publisher
Springer Science and Business Media LLC
Subject
Spectroscopy,Biochemistry
Link
http://link.springer.com/content/pdf/10.1007/s10858-019-00260-6.pdf
Reference90 articles.
1. Altman MD, Ali A, Reddy GS, Nalam MN, Anjum SG, Cao H, Chellappan S, Kairys V, Fernandes MX, Gilson MK, Schiffer CA, Rana TM, Tidor B (2008) HIV-1 protease inhibitors from inverse design in the substrate envelope exhibit subnanomolar binding to drug-resistant variants. J Am Chem Soc 130:6099–6113
2. Arts EJ, Hazuda DJ (2012) HIV-1 antiretroviral drug therapy. Cold Spring Harb Perspect Med 2:a007161
3. Baldwin ET, Bhat TN, Gulnik S, Liu B, Topol IA, Kiso Y, Mimoto T, Mitsuya H, Erickson JW (1995) Structure of HIV-1 protease with KNI-272, a tight-binding transition-state analog containing allophenylnorstatine. Structure 3:581–590
4. Bandyopadhyay P, Meher BR (2006) Drug resistance of HIV-1 protease against JE-2147: I47V mutation investigated by molecular dynamics simulation. Chem Biol Drug Des 67:155–161
5. Cai Y, Yilmaz NK, Myint W, Ishima R, Schiffer CA (2012) Differential flap dynamics in wild-type and a drug resistant variant of HIV-1 protease revealed by molecular dynamics and NMR relaxation. J Chem Theory Comput 8:3452–3462
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