In-silico natural product database mining for novel neuropilin-1 inhibitors: molecular docking, molecular dynamics and binding energy computations

Author:

Ibrahim Mahmoud A. A.12ORCID,Ali Sara S. M.1,Abdeljawaad Khlood A. A.1,Abdelrahman Alaa H. M.1,Gabr Gamal A.34,Shawky Ahmed M.5,Mekhemer Gamal A. H.1,Sidhom Peter A.6,Paré Paul W.7,Hegazy Mohamed-Elamir F.8

Affiliation:

1. Computational Chemistry Laboratory, Chemistry Department, Faculty of Science, Minia University, Minia, Egypt

2. School of Health Sciences, University of KwaZulu-Natal, Durban, South Africa

3. Department of Pharmacology and Toxicology, College of Pharmacy, Prince Sattam Bin Abdulaziz University, Al-Kharj, Saudi Arabia

4. Agricultural Genetic Engineering Research Institute (AGERI), Agricultural Research Center, Giza, Egypt

5. Science and Technology Unit (STU), Umm Al-Qura University, Makkah, Saudi Arabia

6. Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Tanta University, Tanta, Egypt

7. Department of Chemistry & Biochemistry, Texas Tech University, Lubbock, TX, USA

8. Chemistry of Medicinal Plants Department, National Research Centre, Giza, Egypt

Funder

Umm Al-Qura University

Publisher

Informa UK Limited

Subject

General Earth and Planetary Sciences,General Physics and Astronomy,General Agricultural and Biological Sciences,General Environmental Science,General Biochemistry, Genetics and Molecular Biology,General Mathematics,General Chemistry

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