Novel cyclopropyl-indole derivatives as HIV non-nucleoside reverse transcriptase inhibitors
dc.contributor.author | Hassam M. | |
dc.contributor.author | Basson A.E. | |
dc.contributor.author | Liotta D.C. | |
dc.contributor.author | Morris L. | |
dc.contributor.author | Van Otterlo W.A.L. | |
dc.contributor.author | Pelly S.C. | |
dc.date.accessioned | 2012-07-04T10:01:58Z | |
dc.date.available | 2012-07-04T10:01:58Z | |
dc.date.issued | 2012 | |
dc.description.abstract | The HIV pandemic represents one of the most serious diseases to face mankind in both a social and economic context, with many developing nations being the worst afflicted. Due to ongoing resistance issues associated with the disease, the design and synthesis of anti-HIV agents presents a constant challenge for medicinal chemists. Utilizing molecular modeling, we have designed a series of novel cyclopropyl indole derivatives as HIV non-nucleoside reverse transcriptase inhibitors and carried out their preparation. These compounds facilitate a double hydrogen bonding interaction to Lys101 and efficiently occupy the hydrophobic pockets in the regions of Tyr181/188 and Val179. Several of these compounds inhibited HIV replication as effectively as nevirapine when tested in a phenotypic assay. © 2012 American Chemical Society. | |
dc.identifier.citation | ACS Medicinal Chemistry Letters | |
dc.identifier.citation | 3 | |
dc.identifier.citation | 6 | |
dc.identifier.citation | 470 | |
dc.identifier.citation | 475 | |
dc.identifier.issn | 19485875 | |
dc.identifier.other | doi:10.1021/ml3000462 | |
dc.identifier.uri | http://hdl.handle.net/10019.1/21544 | |
dc.subject | cyclopropyl | |
dc.subject | HIV | |
dc.subject | indole | |
dc.subject | NNRTI | |
dc.subject | rational design | |
dc.title | Novel cyclopropyl-indole derivatives as HIV non-nucleoside reverse transcriptase inhibitors | |
dc.type | Article |