Synthesis and anti-HIV-1 activity of 4-[4-(4,6-bisphenylamino-triazin-2-ylamino)-5-methoxy-2-methylphenylazo]-5-hydroxynaphthalene-2,7-disulfonic acid and its derivatives.
A structure-based design approach has been used to optimize a lead HIV-1 entry inhibitor targeted to the envelope glycoprotein gp41. The docking study on this lead compound revealed important structural requirements that need to be preserved as well as structural non-requirements that could be eliminated to substantially reduce the molecular size of the lead compound. Based on the results from docking study, a limited number of analogues were designed and synthesized. This approach yielded a new analogue (compound 4) that retained the anti-HIV-1 activity with reduced molecular size approaching towards more drug-like character.
Naicker
Kannan P
KP
Institute of Human Virology, University of Maryland Biotechnology Institute, 725 W. Lombard Street, Baltimore, MD 21201, USA.
Jiang
Shibo
S
Lu
Hong
H
Ni
Jiahong
J
Boyer-Chatenet
Louise
L
Wang
Lai-Xi
LX
Debnath
Asim K
AK
D019380:Anti-HIV Agents / Q000138:chemical synthesis* / Q000494:pharmacology; D003198:Computer Simulation; D015195:Drug Design; D015497:HIV-1 / Q000187:drug effects; D006801:Humans; D008970:Molecular Weight; D009282:Naphthalenesulfonates / Q000138:chemical synthesis / Q000494:pharmacology; D013329:Structure-Activity Relationship; D014227:Triazines / Q000138:chemical synthesis / Q000494:pharmacology
D019380:Anti-HIV Agents; D009282:Naphthalenesulfonates; D014227:Triazines; C407145:ADS J1