Azole-carbodithioate hybrids as vaginal anti-Candida contraceptive agents: Design, synthesis and docking studies

作者：Kumar Lalit; La Nand; Kumar Vikash; Sarswat Amit; Jangir Santosh; Bala Veenu; Kumar Lokesh; Kushwaha Bhavana; Pandey Atindra K; Siddiqi Mohammad I; Shukla Praveen K; Maikhuri Jagdamba P; Gupta Gopal; Sharma Vishnu L^*

来源：European Journal of Medicinal Chemistry, 2013, 70: 68-77.

DOI：10.1016/j.ejmech.2013.09.007

• Anti-Candida
• Spermicides
• Imidazole
• Docking
• Carbon disulfide
• Dithiocarbamate

Azole and carbodithioate hybrids were synthesized as alkyl 1H-azole-1-carbodithioates (7-27) and evaluated for spermicidal/microbicidal activities against human sperm, Trichomonas vaginalis and Candida species. Seventeen compounds (7-14, 16-18 and 20-25) showed spermicidal activity at MEC 1.0% (w/v) and permanently immobilized 100% normal human spermatozoa within similar to 30 s. Seventeen compounds (7-11, 13-18 and 20-25) exhibited anti-Candida activity (IC50 1.26-47.69 mu g/mL). All compounds were devoid of bactericidal activity against four bacterial strains (50.00 mu g/mL) and antiprotozoal activity against Trichomonas vaginalis (200.00 mu g/mL). Four promising compounds (10, 17, 20 and 22) have better safety profile as compared to Nonoxyno1-9 (N-9). Docking study was done to visualize the possible interaction of designed scaffold with prospective receptor (Cyp51) of Candida albicans.

• 出版日期2013-12