Cyclic HIV-1 Protease Inhibitors Derived from Mannitol:  Synthesis, Inhibitory Potencies, and Computational Predictions of Binding Affinities

1997 ◽  
Vol 40 (6) ◽  
pp. 885-897 ◽  
Author(s):  
Johan Hultén ◽  
Nicholas M. Bonham ◽  
Ulrika Nillroth ◽  
Tomas Hansson ◽  
Guido Zuccarello ◽  
...  
Keyword(s):  
Protease Inhibitors ◽  
Binding Affinities ◽  
Hiv 1 ◽  
Computational Predictions

Computational Studies on HIV-1 Protease Inhibitors:  Influence of Calculated Inhibitor−Enzyme Binding Affinities on the Statistical Quality of 3D-QSAR CoMFA Models

2000 ◽  
Vol 43 (23) ◽  
pp. 4446-4451 ◽  
Author(s):  
Philippa R. N. Jayatilleke ◽  
Anil C. Nair ◽  
Randy Zauhar ◽  
William J. Welsh
Keyword(s):  
Protease Inhibitors ◽  
3D Qsar ◽  
Computational Studies ◽  
Binding Affinities ◽  
Statistical Quality ◽  
Enzyme Binding ◽  
Hiv 1

Accurate prediction of relative binding affinities of a series of HIV‐1 protease inhibitors using semi‐empirical quantum mechanical charge

2020 ◽  
Vol 41 (19) ◽  
pp. 1773-1780
Author(s):  
Cheng Peng ◽  
Jinan Wang ◽  
Zhijian Xu ◽  
Tingting Cai ◽  
Weiliang Zhu
Keyword(s):  
Protease Inhibitors ◽  
Accurate Prediction ◽  
Quantum Mechanical ◽  
Binding Affinities ◽  
Relative Binding ◽  
Semi Empirical ◽  
Hiv 1 ◽  
Mechanical Charge

scholarly journals Molecular Basis for Increased Susceptibility of Isolates with Atazanavir Resistance-Conferring Substitution I50L to Other Protease Inhibitors

2005 ◽  
Vol 49 (9) ◽  
pp. 3825-3832 ◽  
Author(s):  
Joseph Yanchunas ◽  
David R. Langley ◽  
Li Tao ◽  
Ronald E. Rose ◽  
Jacques Friborg ◽  
...  
Keyword(s):  
Protease Inhibitor ◽  
Protease Inhibitors ◽  
Hiv Protease ◽  
Cross Resistance ◽  
Titration Calorimetry ◽  
Binding Affinities ◽  
The Novel ◽  
Immunodeficiency Virus ◽  
Effective Drugs ◽  
Hiv 1

ABSTRACT Protease inhibitors (PIs) are highly effective drugs against the human immunodeficiency virus (HIV), yet long-term therapeutic use is limited by emergence of HIV type 1 (HIV-1) protease substitutions that confer cross-resistance to multiple protease inhibitor drugs. Atazanavir is a highly potent HIV protease inhibitor with a distinct resistance profile that includes effectiveness against most HIV-1 isolates resistant to one or two PIs. The signature resistance substitution for atazanavir is I50L, and it is frequently (53%) accompanied by a compensatory A71V substitution that helps restore viability and increases atazanavir resistance levels. We measured the binding affinities of wild-type (WT) and I50L/A71V HIV-1 proteases to atazanavir and other currently approved PIs (ritonavir, lopinavir, saquinavir, nelfinavir, indinavir, and amprenavir) by isothermal titration calorimetry. Remarkably, we find that all of the PIs have 2- to 10-fold increased affinities for I50L/A71V protease, except for atazanavir. The results are also manifested by thermal stability measures of affinity for WT and I50L/A71V proteases. Additional biophysical and enzyme kinetics experiments show I50L/A71V protease is a stable enzyme with catalytic activity that is slightly reduced (34%) relative to the WT. Computational modeling reveals that the unique resistance phenotype of I50L/A71V protease likely originates from bulky tert-butyl groups at P2 and P2′ (specific to atazanavir) that sterically clash with methyl groups on residue L50. The results of this study provide a molecular understanding of the novel hypersusceptibility of atazanavir-resistant I50L/A71V-containing clinical isolates to other currently approved PIs.

Stereoisomers of Cyclic Urea HIV-1 Protease Inhibitors:  Synthesis and Binding Affinities

1998 ◽  
Vol 41 (25) ◽  
pp. 5113-5117 ◽  
Author(s):  
Robert F. Kaltenbach ◽  
David A. Nugiel ◽  
Patrick Y. S. Lam ◽  
Ronald M. Klabe ◽  
Steven P. Seitz
Keyword(s):  
Protease Inhibitors ◽  
Binding Affinities ◽  
Hiv 1

An oral high dose of cholecalciferol restores vitamin D status in deficient postmenopausal HIV-1 infected women independently of protease inhibitors therapy

2015 ◽  
Author(s):  
Jessica Pepe ◽  
Ivano Mezzaroma ◽  
Alessandra Fantauzzi ◽  
Mario Falciano ◽  
Alessandra Salotti ◽  
...  
Keyword(s):  
Vitamin D ◽  
Protease Inhibitors ◽  
High Dose ◽  
Vitamin D Status ◽  
Hiv 1

A convergent synthesis of the spiroketal moiety of the HIV-1 protease inhibitors didemnaketals

Tetrahedron ◽  
2002 ◽  
Vol 58 (9) ◽  
pp. 1697-1708 ◽  
Author(s):  
Yan Xing Jia ◽  
Xin Li ◽  
Bin Wu ◽  
Xue Zhi Zhao ◽  
Yong Qiang Tu
Keyword(s):  
Protease Inhibitors ◽  
Convergent Synthesis ◽  
Hiv 1

scholarly journals Substrate Envelope-Designed Potent HIV-1 Protease Inhibitors to Avoid Drug Resistance

2013 ◽  
Vol 20 (9) ◽  
pp. 1116-1124 ◽  
Author(s):  
Madhavi N.L. Nalam ◽  
Akbar Ali ◽  
G.S. Kiran Kumar Reddy ◽  
Hong Cao ◽  
Saima G. Anjum ◽  
...  
Keyword(s):  
Drug Resistance ◽  
Protease Inhibitors ◽  
Hiv 1 ◽  
Substrate Envelope

Design and Evaluation of Novel Piperidine HIV-1 Protease Inhibitors with Potency against DRV-resistant Variants

2021 ◽  
pp. 113450
Author(s):  
Mei Zhu ◽  
Huiyu Zhou ◽  
Ling Ma ◽  
Biao Dong ◽  
Jinming Zhou ◽  
...  
Keyword(s):  
Protease Inhibitors ◽  
Hiv 1

ChemInform Abstract: HIV-1 Protease Inhibitors Based on Acyclic Carbohydrates.

ChemInform ◽  
2010 ◽  
Vol 29 (49) ◽  
pp. no-no
Author(s):  
B. SAMUELSSON ◽  
ET AL. ET AL.
Keyword(s):  
Protease Inhibitors ◽  
Hiv 1

scholarly journals Major drug resistance mutations to HIV-1 protease inhibitors (PI) among patients exposed to PI class failing antiretroviral therapy in São Paulo State, Brazil

PLoS ONE ◽  
2019 ◽  
Vol 14 (10) ◽  
pp. e0223210
Author(s):  
Giselle de Faria Romero Soldi ◽  
Isadora Coutinho Ribeiro ◽  
Cintia Mayumi Ahagon ◽  
Luana Portes Ozório Coelho ◽  
Gabriela Bastos Cabral ◽  
...  
Keyword(s):  
Drug Resistance ◽  
Antiretroviral Therapy ◽  
Protease Inhibitors ◽  
Sao Paulo ◽  
Resistance Mutations ◽  
Paulo State ◽  
Drug Resistance Mutations ◽  
São Paulo State ◽  
Major Drug ◽  
Hiv 1
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