Antifungal Activities of Phytochemicals from Annona muricate (Sour Sop): Molecular Docking and Chemoinformatics Approach
نویسندگان
چکیده
Fungal infection has become a persistent problem in humans and is sometimes life-threatening immune-compromised individuals. This work aims to study phytochemicals from Annona muricata (sour sop) as probable antifungal agents against Candida albicans sterol 14α-demethylase target receptor by Computer Aided-Drug Design (CADD) approach using voriconazole fluconazole standard drugs. A modern method of drug discovery molecular docking chemoinformatics was used screen 131 isolated with medicinal properties ‘sterol 14α-demethylase, prominent for most anti-fungal drugs, towards the development new therapeutic treat patients fungal infections. The compounds were all subjected analyses like ADMET, drug-likeness, bioactivity, oral-bioavailability PASS. results simulation showed that muricin M (-7.9 kcal/mol), chlorogenic acid (-8.2 roseoside (-8.5 kcal/mol) caffeoylquinic (-8.1 are potential candidates treating infections due their excellent such binding affinities, ADMET profile, mode interactions receptor. Thus, M, acid, recommended further
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ژورنال
عنوان ژورنال: Majalah Obat Tradisional
سال: 2022
ISSN: ['1410-5918', '2406-9086']
DOI: https://doi.org/10.22146/mot.77380