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

Mahmoud A. A. Ibrahima Computational Chemistry Laboratory, Chemistry Department, Faculty of Science, Minia University, Minia, Egypt;b School of Health Sciences, University of KwaZulu-Natal, Durban, South AfricaCorrespondence[email protected]

https://orcid.org/0000-0003-4819-2040 View further author information

Sara S. M. Alia Computational Chemistry Laboratory, Chemistry Department, Faculty of Science, Minia University, Minia, EgyptView further author information

Khlood A. A. Abdeljawaada Computational Chemistry Laboratory, Chemistry Department, Faculty of Science, Minia University, Minia, EgyptView further author information

Alaa H. M. Abdelrahmana Computational Chemistry Laboratory, Chemistry Department, Faculty of Science, Minia University, Minia, EgyptView further author information

Gamal A. Gabrc Department of Pharmacology and Toxicology, College of Pharmacy, Prince Sattam Bin Abdulaziz University, Al-Kharj, Saudi Arabia;d Agricultural Genetic Engineering Research Institute (AGERI), Agricultural Research Center, Giza, EgyptView further author information

Ahmed M. Shawkye Science and Technology Unit (STU), Umm Al-Qura University, Makkah, Saudi ArabiaView further author information

Gamal A. H. Mekhemera Computational Chemistry Laboratory, Chemistry Department, Faculty of Science, Minia University, Minia, EgyptView further author information

Peter A. Sidhomf Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Tanta University, Tanta, EgyptView further author information

Paul W. Parég Department of Chemistry & Biochemistry, Texas Tech University, Lubbock, TX, USAView further author information

Mohamed-Elamir F. Hegazyh Chemistry of Medicinal Plants Department, National Research Centre, Giza, EgyptCorrespondence[email protected]
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In-silico natural product database mining for novel neuropilin-1 inhibitors: molecular docking, molecular dynamics and binding energy computations

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

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