1. Computational Chemistry Laboratory, Chemistry Department, Faculty of Science, Minia University, Minia 61519, Egypt
2. Department of Chemistry, The University of Azad Jammu and Kashmir, Muzaffarabad 13100, Pakistan
3. Science and Technology Unit (STU), Umm Al-Qura University, Makkah 21955, Saudi Arabia
4. Molecular Modelling and Drug Design Research Group, School of Health Sciences, University of KwaZulu-Natal, Westville, Durban 4000, South Africa