Ahmed

Title : New n-ribosides and n-mannosides of rhodanine derivatives with anticancer activity on leukaemia cell line: Design, synthesis, dft and molecular modelling studies

Abstract:

• N-ribosylation and N-mannosylation compounds have a great role in compounds activity as anticancer.
• The reaction of 2-thioxo-4-thiazolidinone (rhodanine) derivatives, as aglycon part, was done with ribofuranose and mannopyranose sugars (glycone part) followed by deacetylation without cleavage of the rhodanine under acidic medium.
• Conformational analysis has been studied using NMR methods (2D, DQF-COSY, HMQC and HMBC).
• All final the new deprotected nucleosides were screened against leukemia 1210, and were found to be considerably less potent (Ic50% 1.4-10.6 ?M) than doxorubicin (Ic50% 0.02 ?M).
• The compounds contain ribose moiety have better activity than those with mannose sugar.
• DFT calculations with B3LYP/6-31+G (d) level were used to analyze the electronic and geometric characteristics deduced from the stable structure of the compounds.
• The principal quantum chemical descriptors showed a good correlation with the experimental observations.
• Rapid Overlay Comparison Similarity (ROCS) study was operated to explain the compounds similarity and to figure out the most important pharmacophoric features.

Biography:

Prof. Dr. Ahmed I. Khodair (1962) has been graduated at Faculty of Science; Tanta University, Egypt in 1984 and got has Ph. D. (Org. Chem.) at Faculty of Science, Tanta University, Egypt in 1993. He has been promoted to full Professor of Organic Chemistry at Faculty of Science, Kafrelsheikh University, in 2005. He is specialized in the synthesis of heterocyclic organic compounds and their nucleosides. He is a Humboldt fellow since 2001. He served as a referee for many international organization and scientific journals. He is a member of the permanent scientific committee for promotion of Egyptian universities staff members (Organic Chemistry). He has supervised more than ten master and doctoral theses. He has published more than 50 publications in renowned scientific journals. He spent two years in Denmark at Odense University as a Ph. D. student. He spent seven months at the Technical University of Copenhagen/Lyngby (Denmark). He spent two years at Poitiers University (France). He spent sixteen months at Konstanz University (Germany). He spent seven years at King Saud University (Saudi Arabia). He is the head of Chemistry Department of Faculty of Science at Kafrelsheikh University since 2010 for three years. He is the Vice Dean for Education and Student Affairs of Faculty of Science at Kafrelsheikh University since 2011 for three years. He is the Dean of Faculty of Science at Kafrelsheikh University since 2015 for three years. He is the head of Chemistry Department of Faculty of Science at Kafrelsheikh University since 2021 until now.