Molecular modeling of the binding characteristics of some natural | 61007
Journal of Nanomedicine & Biotherapeutic Discovery

Journal of Nanomedicine & Biotherapeutic Discovery
Open Access

ISSN: 2155-983X

Molecular modeling of the binding characteristics of some natural flavonoid compounds to amyloid β-peptide-42

International Summit on Nanomedicine and Robotics

October 17-18, 2022 | Webinar

Awwad Abdoh Radwan Salama

King Saud University, Saudi Arabia

Scientific Tracks Abstracts: J Nanomedine Biotherapeutic Discov

Abstract :

The accumulation of amyloid beta peptide Aβ1-42 in the brain is a critical early event in the progression of Alzheimer's disease. Four floavonoid compounds isolated from Psoralea fruits (PF) were found to have anti-Alzheimer properties in vitro and in vivo in recent research. These natural compounds inhibited Aβ1-42 aggregation in a promising way. Docking studies and molecular dynamics (MD) simulations were used in our work to conduct a molecular modeling study on the substances as potential Aβ1-42 aggregation inhibitors. A molecular mechanics calculation was performed to determine the binding free energy, gain insight into the binding modes of the ligands, and pinpoint the key interacting residues.

Biography :

Awwad Salama received his B.S. in pharmaceutical sciences from Assiut-Egypt, Assiut University 1988, where he named as administrator member and got his MD in Pharmaceutical Organic chemistry in 1995. He got his Ph.D. in computer-aided drug discovery from Tokyo-Japan, Kitasato University in 2002. 2002-util now, he named as lecture, associate professor and professor at Faculty of Pharmacy, Assiut University, Egypt. In 2008-untill now, he moved to College of Pharmacy, King Saud University, KSA. Awwad’s work has led to 65 publications, 2 patents and several conferences’ participations. He got two awards From ‘ACDIMA Award as a co-author for best research from ACDIMA drug company (Oman, Jordanian’ years 2008 and 2012) and he got Silver Medal from Geneva Innovation Salon (Swizerland, 2-6 April 2014).

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