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De novo design of novel spike glycoprotein inhibitors using e-pharmacophore modeling, molecular hybridization, ADMET, quantum mechanics and molecular dynamics studies for COVID-19.

Autor: A Alzain A; Department of Pharmaceutical Chemistry, Faculty of Pharmacy, University of Gezira, Gezira, Sudan., Ismail A; Department of Pharmaceutical Chemistry, Faculty of Pharmacy, University of Gezira, Gezira, Sudan., Fadlelmola M; Department of Pharmaceutical Chemistry, Faculty of Pharmacy, University of Gezira, Gezira, Sudan., A Mohamed M; Department of Pharmaceutical Chemistry, College of Pharmacy, Jouf University, Sakaka, Kingdom of Saudi Arabia., Mahjoub M; Department of Pharmaceutical Chemistry, Faculty of Pharmacy, University of Gezira, Gezira, Sudan., A Makki A; Department of Pharmaceutical Chemistry, Faculty of Pharmacy, University of Gezira, Gezira, Sudan., Elsaman T; Department of Pharmaceutical Chemistry, College of Pharmacy, Jouf University, Sakaka, Kingdom of Saudi Arabia.

Publikováno v: Pakistan journal of pharmaceutical sciences [Pak J Pharm Sci] 2022 Jan; Vol. 35 (1(Supplementary)), pp. 313-321.