» Articles » PMID: 16298131

Optimization of Diarylamines As Non-nucleoside Inhibitors of HIV-1 Reverse Transcriptase

Overview
Specialty Biochemistry
Date 2005 Nov 22
PMID 16298131
Citations 17
Authors
Affiliations
Soon will be listed here.
Abstract

Following computational analyses, potential non-nucleoside inhibitors of HIV-1 reverse transcriptase have been pursued through synthesis and assaying for anti-viral activity. The general class Het-NH-Ph-U has been considered, where Het is an aromatic heterocycle and U is an unsaturated, hydrophobic group. Results for compounds with Het=2-thiazoyl and 2-pyrimidinyl are the focus of this report.

Citing Articles

An Overview of Molecular Modeling for Drug Discovery with Specific Illustrative Examples of Applications.

Aminpour M, Montemagno C, Tuszynski J Molecules. 2019; 24(9).

PMID: 31052253 PMC: 6539951. DOI: 10.3390/molecules24091693.


Unbinding Dynamics of Non-Nucleoside Inhibitors from HIV-1 Reverse Transcriptase.

Dodda L, Tirado-Rives J, Jorgensen W J Phys Chem B. 2018; 123(8):1741-1748.

PMID: 30571126 PMC: 6395492. DOI: 10.1021/acs.jpcb.8b10341.


Computer-aided discovery of anti-HIV agents.

Jorgensen W Bioorg Med Chem. 2016; 24(20):4768-4778.

PMID: 27485603 PMC: 5114837. DOI: 10.1016/j.bmc.2016.07.039.


Enhanced Monte Carlo Sampling through Replica Exchange with Solute Tempering.

Cole D, Tirado-Rives J, Jorgensen W J Chem Theory Comput. 2014; 10(2):565-571.

PMID: 24803853 PMC: 3985685. DOI: 10.1021/ct400989x.


Methyl effects on protein-ligand binding.

Leung C, Leung S, Tirado-Rives J, Jorgensen W J Med Chem. 2012; 55(9):4489-500.

PMID: 22500930 PMC: 3353327. DOI: 10.1021/jm3003697.