Preclinical evaluation and molecular docking of 4-phenyl-1-Napthyl phenyl acetamide (4P1NPA) from Streptomyces sp. DPTB16 as a potent antifungal compound

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• 作者：Subhasish Saha^a ; Aravindh Priyadharshini^b ; Dharumadurai Dhanasekaran^a ; ^{dhansdd@yahoo.co.in} ; Nooruddin Thajuddin^a ; Saravanan Chandraleka^c ; Govindasamy Chandramohan^c ; Annamalai Panneerselvam^d
• 关键词：Antifungal resistance ; Antifungal ; 4P1NPA ; In silico pharmacology and docking tools ; Docking ; CYP51
• 刊名：Computers in Biology and Medicine
• 出版年：2012
• 期刊代码：70_00104825
• 类别：med
• 出版时间：May, 2012
• 卷：42
• 期：5
• 页码：542-547
• 文件大小：784 K

摘要

The incidence of fungal disease has increased dramatically over the past decades, mainly due to the emergence and transmission of antifungal resistance within the fungal pathogens. The present study investigates the use of novel antifungal compound 4-Phenyl-1-Napthyl Phenyl Acetamide (4P1NPA), isolated from marine Streptomyces sp. DPTB16 as a potent antifungal drug. The preclinical studies and molecular docking for 4P1NPA against Cytochrome P450 51 (CYP 51) were performed using in silico pharmacology and docking tools. The finding reveals the drug likeliness of 4P1NPA and satisfactory interaction of 4P1NPA with CYP 51. These results collectively evidence the use of 4P1NPA as a drug to treat fungal infections. On the whole, we highlight the findings of this research will be helpful to design 4P1NPA as novel antifungal drug to defend the emerging antifungal resistance.