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Molecules 2016, 21(1), 114; doi:10.3390/molecules21010114

Synthesis, Biological Evaluation and Molecular Docking of Certain Sulfones as Potential Nonazole Antifungal Agents

1
Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Egyptian Russian University, Badr City, Cairo 11829, Egypt
2
Pharmacognosy Department, Faculty of Pharmacy, Cairo University, Kasr El-Aini Street, Cairo 11562, Egypt
3
Department of Pharmacology and Toxicology, Faculty of Pharmacy, Egyptian Russian University, Badr City, Cairo 11829, Egypt
4
The Regional Center for Mycology and Biotechnology, Al-Azhar University, Cairo 11759, Egypt
5
Department of Pharmaceutical Chemistry, College of Pharmacy, King Saud University, P. O. Box 2457, Riyadh 11451, Saudi Arabia
6
Department of Medicinal Chemistry, Faculty of Pharmacy, Mansoura University, Mansoura 35516, Egypt
7
Department of Applied Organic Chemistry, National Research Center, Dokki, Giza 12622, Egypt
These authors contributed equally to this work.
Present address: Department of Chemistry, University of Oxford, Oxford OX1 3TA, UK
*
Authors to whom correspondence should be addressed.
Academic Editor: Maria Emília Sousa
Received: 23 December 2015 / Revised: 8 January 2016 / Accepted: 13 January 2016 / Published: 20 January 2016
(This article belongs to the Section Medicinal Chemistry)
View Full-Text   |   Download PDF [2260 KB, uploaded 20 January 2016]   |  

Abstract

We reported herein the synthesis, antifungal activity, docking and in silico ADME prediction studies of four novel series of sulfones 6af, 8ac, 10af and 12ac. 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 = 1.00 µM). 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 14α-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). View Full-Text
Keywords: synthesis; sulfone; antifungal; anticandidal; docking synthesis; sulfone; antifungal; anticandidal; docking
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MDPI and ACS Style

Fares, M.; Said, M.A.; Alsherbiny, M.A.; Eladwy, R.A.; Almahli, H.; Abdel-Aziz, M.M.; Ghabbour, H.A.; Eldehna, W.M.; Abdel-Aziz, H.A. Synthesis, Biological Evaluation and Molecular Docking of Certain Sulfones as Potential Nonazole Antifungal Agents. Molecules 2016, 21, 114.

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