Ontology highlight
ABSTRACT:
SUBMITTER: Paneth A
PROVIDER: S-EPMC6631718 | biostudies-literature | 2019 Apr
REPOSITORIES: biostudies-literature
Paneth Agata A Płonka Wojciech W Paneth Piotr P
Pharmaceuticals (Basel, Switzerland) 20190424 2
In this study, 48 inhibitors were docked to 107 allosteric centers of human immunodeficiency virus 1 (HIV-1) reverse transcriptase from the Protein Data Bank (PDB). Based on the average binding scores, quantitative structure-activity relationship (QSAR) equations were constructed in order to elucidate directions of further development in the design of inhibitors. Such developments, informed by structural data, must have a focus on activity against mutated forms of the enzyme, which are the cause ...[more]