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3D-QSAR,homology modelling of influenza hemagglutinin receptor (StrainA/WS/1933), molecular dynamics,DFT, and ADMET studies for newly designed inhibitors
Institution:1. Faculty of Physical sciences, Department of Chemistry, Ahmadu Bello University, P.M.B. 1044, Zaria, Kaduna State, Nigeria;2. Faculty of Sciences, Department of Pure and Applied Chemistry, Kaduna State University, Tafawa-Balewa Way, Kaduna State, Nigeria;3. Biotechnology Department, Faculty of Science and Technology, Shendi University, Shend, 11111, Sudan;1. Department of Chemistry, Arts, Science & Commerce College, Pilvai, Gujarat, India;2. Department of Microbiology, R.G. Shah Science College, Vasana-Ahmedabad, Gujarat, India;1. Department of Pharmaceutical Chemistry, P.E.S''s Rajaram and Tarabai Bandekar College of Pharmacy, Ponda, Goa, 403401, India;2. Department of Pharmacognosy, ASPM College of Pharmacy, Sangulwadi, Vaibhavwadi, Sindhudurg, Maharashtra, 416810, India;1. Department of Mathematics, Bajkul Milani Mahavidyalaya, Purba Medinipur, 721 655, India;2. Department of Mathematics, University of Gour Banga, Malda, 732 103, India;3. Department of Applied Mathematics, Vidyasagar University, Midnapore, 721 102, India
Abstract:
Keywords:Modelling  Binding score  Modelled protein receptor  Hemagglutinin  Residual interaction
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