Day :
Keynote Forum
Zeinab Elfakharany
Department of Pharmaceutical Chemistry, Faculty of Pharmacy, MSA university,Cairo,Egypt.
Keynote: Synthesis and molecular docking of new quinoline derivatives as VEGFR-2 inhibitors
Biography:
Zeinab Sayed Fathy Ismail Elfakharany; completed Bachelor's degree in Pharmacy from Cairo University; working as a teaching assistant in October University for Modern Sciences and Arts located in Cairo, Egypt. My scope of interset is drug design and how to synthesize various organic molecules as a medicinal chemist.Currently studying quinoline based derivatives in the aim to fullfil my Master degree in pharmaceutical sciences, Cairo university,Egypt.
Abstract:
The quinoline ring system has long been known as a versatile nucleus in the design and synthesis of biologically active compounds as several quinoline derivatives exhibit a broad spectrum of pharmacological activities from antibacterial, antifungal, antimalarial, anthelmintic, antipsychotic, and anticancer. Several compounds containing the quinoline scaffold are currently in the clinical use as anticancer agents. Vascular endothelial growth factor receptor-2 (VEGFR-2) plays a vital role in cancer angiogenesis. In this study, based on the structure activity relationships and common pharmacophoric features shared by various VEGFR-2 inhibitors such as: sorafenib and tivozanib, as well as analysis of their binding modes; a series of novel quinoline derivatives were designed and synthesized as chemotherapeutic agents targeting cancer through the inhibition of VEGFR-2 activity. Docking simulation of the newly synthesized compounds into the active site of VEGFR-2 was performed to explore the probable binding interactions. All synthesized compounds were fit in the active pocket of VEGFR-2 (PDB ID 4ASE); with docking score ranges from -9.6791 to -9.1496 kcal/mole. Compound number VIb showed the best docking score while compound VId showed the least docking score. Our target compounds may serve as model molecules for the development of quinoline based anticancer agents.
- Drug Chemistry
Location: Montreal, Canada
Session Introduction
Bashar Mudhaffar Abdullah
Clinical Laboratory Technology Department, Al-Rafidain University College, Baghdad, Iraq
Title: Fatty Acids Composition, Triacylglycerol Profiles and Spectroscopy Study of Pure Olive Oil
Biography:
Bashar Mudhaffar Abdullah has completed his PhD at the age of 33 years from Universiti Kebangsaan Malaysia and postdoctoral studies also from Universiti Kebangsaan Malaysia. He has published more than 50 papers in reputed journals and attende more than 25 conferences.
Abstract:
This study was carried out to determine the fatty acids (FAs) composition, triacylglycerol profiles (TAG) and spectroscopy study of pure olive oil. Gas chromatography (GC) was used to determine the FAs of pure olive oil which is consisting of three major long chain FAs were detected in the pure olive oil, which is oleic 52.82%, linoleic 28.55% and palmitic 11.12% acids. Other FA composition was less than 10% and comprised of stearic 4.72% acid. High performance liquid chromatography (HPLC) was used to determine the TAG. The major TAG peaks in the study of pure olive oil were the OLL with 17.39%, OLO 23.14% and PLO with 10.92%. The FTIR spectroscopy showed the (C=C) at 3470cm-1. The results of this study showed that the pure olive oil is plausible source of polyunsaturated fatty acids (PUFAs) to be developed in the future for industrial applications.
- Potential Inhibitors
Location: Montreal, Canada
Session Introduction
Miroslava Ndyalkova
Sofia University Chemistry and Pharmacy Faculty, Sofia 1172, Bulgaria
Title: Natural Products as Potential Inhibitors Against SARS‑CoV‑2 - Molecular docking and chemomoetrics study
Biography:
Miroslava Ndyalkova,Sofia University Chemistry and Pharmacy Faculty, Sofia 1172, Bulgaria.
Abstract:
The emergence and rapid worldwide spread of the novel coronavirus disease, COVID-19, has prompted concerted efforts to find successful treatments. The causative virus, severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) – a strain of severe acute respiratory syndrome-related coronavirus. The discovery of new drugs that could target this complex efficiently would be a very long, multi-step and expensive process as every other drug discovery.
We propose a workflow of combined molecular docking study with cheminformatics methods classification methods that will be used to predict and identify novel drug by screening from the available data for the nature compound based on as well as for the essential oils interacting with Receptor Binding Domain (RBD).