Design of non-nucleoside inhibitors of HIV-1 reverse transcriptase with improved drug resistance properties. 1.

AL Hopkins, J Ren, J Milton, RJ Hazen… - Journal of medicinal …, 2004 - ACS Publications
We have used a structure-based approach to design a novel series of non-nucleoside
inhibitors of HIV-1 RT (NNRTIs). Detailed analysis of a wide range of crystal structures of HIV …

QSAR models for HEPT derivates as NNRTI inhibitors based on Monte Carlo method

AP Toropova, AA Toropov, JB Veselinović… - European journal of …, 2014 - Elsevier
Abstract A series of 107 1-[(2-hydroxyethoxy)-methyl]-6-(phenylthio) thymine (HEPT) with
anti-HIV-1 activity as a non-nucleoside reverse transcriptase inhibitor (NNRTI) has been …

[HTML][HTML] Polypharmacology in HIV inhibition: can a drug with simultaneous action against two relevant targets be an alternative to combination therapy?

S de Castro, MJ Camarasa - European journal of medicinal chemistry, 2018 - Elsevier
HIV infection still has a serious health and socio-economical impact and is one of the
primary causes of morbidity and mortality all over the world. HIV infection and the AIDS …

Crystal Structure of tert-Butyldimethylsilyl-spiroaminooxathioledioxide-thymine (TSAO-T) in Complex with HIV-1 Reverse Transcriptase (RT) Redefines the Elastic …

K Das, JD Bauman, AS Rim, C Dharia… - Journal of medicinal …, 2011 - ACS Publications
tert-Butyldimethylsilyl-spiroaminooxathioledioxide (TSAO) compounds have an embedded
thymidine-analogue backbone; however, TSAO compounds invoke non-nucleoside RT …

[HTML][HTML] Tuberculosis and HIV responses threatened by nCOVID-19: A situation prompting an in silico investigation of reported MbtA inhibitors for combined inhibition …

G Rakshit, V Jayaprakash - Structural Chemistry, 2023 - Springer
The menace of infectious diseases has constantly been a reason of concern for humankind
since time immemorial. As evident by the name, infectious diseases can infect a huge …

[HTML][HTML] Synthesis, HIV-1 RT inhibitory, antibacterial, antifungal and binding mode studies of some novel N-substituted 5-benzylidine-2,4-thiazolidinediones

RS Bahare, S Ganguly, K Choowongkomon… - DARU Journal of …, 2015 - Springer
Background Structural modifications of thiazolidinediones at 3 rd and 5 th position have
exhibited significant biological activities. In view of the facts, and based on in silico studies …

Structural basis for the improved drug resistance profile of new generation benzophenone non-nucleoside HIV-1 reverse transcriptase inhibitors

J Ren, PP Chamberlain, A Stamp… - Journal of medicinal …, 2008 - ACS Publications
Owing to the emergence of resistant virus, next generation non-nucleoside HIV reverse
transcriptase inhibitors (NNRTIs) with improved drug resistance profiles have been …

Resistance to nevirapine of HIV-1 reverse transcriptase mutants: loss of stabilizing interactions and thermodynamic or steric barriers are induced by different single …

G Maga, M Amacker, N Ruel, U Hübscher… - Journal of molecular …, 1997 - Elsevier
The kinetic parameters governing the inhibition by Nevirapine of the RNA-dependent DNA
synthesis catalyzed by HIV-1 reverse transcriptase have been determined by steady-state …

Computer-Aided Design, Synthesis, and Anti-HIV-1 Activity in Vitro of 2-Alkylamino-6-[1-(2,6-difluorophenyl)alkyl]-3,4-dihydro-5-alkylpyrimidin-4(3H)- ones as Novel …

R Ragno, A Mai, G Sbardella, M Artico… - Journal of medicinal …, 2004 - ACS Publications
Dihydro-alkoxy-benzyl-oxopyrimidines (DABOs) are a family of potent NNRTIs developed in
the past decade. Attempts to improve their potency and selectivity led to thio-DABOs (S …

Design of annulated pyrazoles as inhibitors of HIV-1 reverse transcriptase

ZK Sweeney, SF Harris, N Arora… - Journal of medicinal …, 2008 - ACS Publications
Non-nucleoside reverse transcriptase inhibitors (NNRTIs) are recommended components of
preferred combination antiretroviral therapies used for the treatment of HIV. These regimens …