drug design and discovery

Silvestri Research Group

Silvestri Research Group

The drug design is based on molecular modeling studies performed by the internal computational unit. We employ procedures for the microwave-assisted synthesis and highly automated purifications developed inside the reearch unit. We have developed reasearch projects of antiviral agents (novel classes of HIV NNRTI classes: IAS, PAS, PBTD, DAMNI), antifungal agents (analogues of bifonazole (Ph.D.

Chiral indolylarylsulfone non-nucleoside reverse transcriptase inhibitors as new potent and broad spectrum anti-HIV-1 agents

We designed and synthesized a series of chiral indolyarylsulfones (IASs) as new HIV-1 NNRTIs. The new IASs 8-37 showed potent inhibition of the HIV-1 WT NL4-3 strain and of the mutant K103N, Y181C, Y188L, and K103N-Y181C HIV-1 strains. Six racemic mixtures, 8, 23-25, 31, and 33, were separated at semipreparative level into their pure enantiomers. The (R)-8 enantiomer bearing the chiral (?-methylbenzyl) was superior to the (S)-counterpart. IAS derivatives bearing the (S) alanine unit, (S)-23, (S,R)-25, (S)-31, and (S)-33, were remarkably more potent than the corresponding (R)-enantiomers.

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