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In silico prediction of Antifungal compounds from Natural sources towards Lanosterol 14-alpha demethylase (CYP51) using Molecular docking and Molecular dynamic simulation

Imran Sama‐ae, Nawanwat C. Pattaranggoon, Aman Tedasen

2023Journal of Molecular Graphics and Modelling36 citationsDOI

Topics & Concepts

LanosterolIn silicoDocking (animal)Lipinski's rule of fiveChemistryDemethylaseVirtual screeningActive siteStereochemistryBiochemistryKetoconazoleComputational biologyEnzymeAntifungalBiologyPharmacophoreMicrobiologyCholesterolEpigeneticsMedicineSterolGeneNursingAntifungal resistance and susceptibilityMicrobial Natural Products and BiosynthesisSynthesis and biological activity
In silico prediction of Antifungal compounds from Natural sources towards Lanosterol 14-alpha demethylase (CYP51) using Molecular docking and Molecular dynamic simulation | Litcius