De novo in silico screening of natural products for antidiabetic drug discovery: ADMET profiling, molecular docking, and molecular dynamics simulations
Sulyman Olalekan Ibrahim, Yusuf Oloruntoyin Ayipo, Halimat Yusuf Lukman, Fatimah Aluko Abubakar, Asiat Na’Allah, Rashidat Arije Katibi-Abdullahi, Marili Funmilayo Zubair, Olubunmi Atolanı
Topics & Concepts
In silicoProfiling (computer programming)Drug discoveryComputational biologyDocking (animal)Molecular dynamicsDrugChemistryComputer sciencePharmacologyBiologyBiochemistryMedicineComputational chemistryOperating systemNursingGeneComputational Drug Discovery MethodsNatural Antidiabetic Agents StudiesMetabolomics and Mass Spectrometry Studies