… -the-art molecular docking approaches applied to the studies of the … studies using molecular
docking with mutant forms of RT. The work discusses the modifications of molecular docking…

… of the assigned molecules in evaluating the new anti-HIV-1 RT agent. In our molecular
docking approach, the new target molecule was obtained from the molecular hybridization for …

… Molecular docking study revealed that Met165, His41, His163, and Phe140 were … and
docking studies. The highest occupied molecular (HOMO) orbital, lowest unoccupied molecular …

… from 2D QSAR and 3D QSAR studies. In order to gain further insights, we carried out the
docking studies on the designed series of NCEs on Reverse Transcriptase (RT) enzyme. …

… for reverse transcriptase inhibitors (RT) and found potentially active against RT. Bioassay,
theoretical and dockings studies with RT (the enzyme required for reverse transcription of viral …

… - approved drugs and drugs in clinical trials, their resistance, adverse … molecular docking
studies of NRTIs and NNRTIs against HIV RT to understand their binding patterns in the protein …

… structureactivity relationship (SAR) and molecular docking studies to be a sort of guide to
approaching the future design and synthesis of novel compounds for the inhibition of HIV-1 RT. …

… the molecules acted as HIV-1 reverse transcriptase inhibitors and that the chemical skeletons
of compounds 14, 15, 16, and 17 may be developed as lead HIV-1 RT inhibitors … studies. …

… the docking protocol of reference reverse transcriptase inhibitor 'Nevirapine' and our
synthesized cyclohexenones derivative (2FC4) showing reverse transcriptase inhibition in …

In this paper we describe our structure-based ligand design, synthetic strategy, and structure−activity
relationship (SAR) studies that led to the identification of thiocarbamates (TCs), a …