Potential inhibitory activity of phytoconstituents against black fungus: In silico ADMET, molecular docking and MD simulation studies
Narmin Hamaamin Hussen, Aso Hameed Hasan, Joazaizulfazli Jamalis, Sonam Shakya, Subhash Chander, Harsha Kharkwal, Sankaranaryanan Murugesan, Virupaksha Bastikar, Pramodkumar P. Gupta
Topics & Concepts
Docking (animal)In silicoADMEMolecular dynamicsChemistryLigand (biochemistry)FungusVirtual screeningBiochemistryStereochemistryBiologyComputational biologyComputational chemistryBotanyMedicineReceptorIn vitroGeneNursingComputational Drug Discovery MethodsEssential Oils and Antimicrobial ActivityPhytochemicals and Medicinal Plants