318951-61-0Relevant articles and documents
Synthesis, Biological evaluation and molecular docking of certain sulfones as potential nonazole antifungal agents
Fares, Mohamed,Said, Mohamed A.,Alsherbiny, Muhammad A.,Eladwy, Radwa A.,Almahli, Hadia,Abdel-Aziz, Marwa M.,Ghabbour, Hazem A.,Eldehna, Wagdy M.,Abdel-Aziz, Hatem A.
, (2016/02/05)
We reported herein the synthesis, antifungal activity, docking and in silico ADME prediction studies of four novel series of sulfones 6a-f, 8a-c, 10a-f and 12a-c. All the newly synthesized sulfones were tested against four strains of Candida (including fluconazole-resistant Candida), two strains of Aspergillus, two dermatophytic fungi (Trichophytons mentagrophyte and Microsporum canis) and Syncephalastrum sp. with fluconazole as a reference drug. In general, compounds 8a and 10b showed selective and potent anticandidal activity (MIC: 0.19-0.81 μM) relative to fluconazole (MIC = 1.00M). Furthermore, 10e and 12a elicited a remarkable and selective antifungal activity against Aspergillus sp. and the dermatophytic fungi (MIC: 0.16-0.79 μM) relative to fluconazole (MIC: 2-2.6 μM). Moreover, the docking results of the sulfones 6a, 8a, 10a and 10b at the active site of CYT P450 14-sterol demethylase showed a comparable binding interaction (interaction Energy = -34.87 to -42.43 kcal/mol) with that of fluconazole (IE =40.37 kcal/mol).
