A focus of Dr. Asim Debnath’s Laboratory of Molecular Modeling and Drug Design is to discover and develop novel drugs for AIDS therapy. A study from the laboratory by Dr. Francesca Curreli et al entitled, “Synthesis, Antiviral Potency, in Vitro ADMET, and Xray Structure of Potent CD4 Mimics as Entry Inhibitors That Target the Phe43 Cavity of HIV1 gp120” was recently published in the prestigious Journal of Medicinal Chemistry. The publication outlines the synthesis, and antiviral potency of more than 60 novel small molecule inhibitors and the drug-like profiles of few selected inhibitors. The data show that some of the best inhibitors have characteristics ideal for an oral drug and have the potential to be moved to the early preclinical development.
Curreli F, Kwon YD, Belov DS, Ramesh RR, Kurkin AV, Altieri A, Kwong PD, Debnath AK. Synthesis, Antiviral Potency, in Vitro ADMET, and X-ray Structure of Potent CD4 Mimics as Entry Inhibitors That Target the Phe43 Cavity of HIV-1 gp120. Journal of Medicinal Chemistry. 2017 Mar 16.