917918-80-0Relevant articles and documents
Discovery and optimization of novel small-molecule HIV-1 entry inhibitors using field-based virtual screening and bioisosteric replacement
Tuyishime, Marina,Danish, Matt,Princiotto, Amy,Mankowski, Marie K.,Lawrence, Rae,Lombart, Henry-Georges,Esikov, Kirill,Berniac, Joel,Liang, Kuang,Ji, Jingjing,Ptak, Roger G.,Madani, Navid,Cocklin, Simon
, p. 5439 - 5445 (2015/01/08)
With the emergence of drug-resistant strains and the cumulative toxicities associated with current therapies, demand remains for new inhibitors of HIV-1 replication. The inhibition of HIV-1 entry is an attractive, yet underexploited therapeutic approach with implications for salvage and preexposure prophylactic regimens, as well as topical microbicides. Using the combination of a field-derived bioactive conformation template to perform virtual screening and iterative bioisosteric replacements, coupled with in silico predictions of absorption, distribution, metabolism, and excretion, we have identified new leads for HIV-1 entry inhibitors.