Identification of RdRp inhibitors against SARS-CoV-2 through E-pharmacophore-based virtual screening, molecular docking and MD simulations approaches
Hafiz Muzzammel Rehman, Muhammad Sajjad, Muhammad Akhtar Ali, Roquyya Gul, Muhammad Naveed, Muhammad Aslam, Khyber Shinwari, Munir Ahmad Bhinder, Muhammad Usman Ghani, Mahjabeen Saleem, Mohd Ashraf Rather, Ishtiyaq Ahmad, Adnan Amin
Topics & Concepts
Virtual screeningPharmacophoreADMEIn silicoComputational biologyDrug discoveryDocking (animal)DrugPharmacologyComputer scienceBiologyBioinformaticsMedicineGeneticsGeneNursingComputational Drug Discovery MethodsSARS-CoV-2 and COVID-19 ResearchCancer therapeutics and mechanisms