Wesam S. Qayed

Title : Structure Based Design of Novel Azine Linked Hybrids of 2-Indolinone- Thiazolodine Scaffold as Potential Quorum Sensing Inhibitors for Fighting Antimicrobial Resistance

Abstract:

Microbial multidrug resistance is becoming a global menace to humanity and finding alternative techniques to combat these "superbugs" is critical. Quorum sensing (QS) is a cell-to-cell communication mechanism in many bacterial strains uses to control the production of biofilm and virulence proteins to carry out their pathogenicity. Therefore, interfering with QS provides a viable alternative technique for combating a variety of diseases. Accordingly, the current work presented a potential QS inhibitors (QSIs) mediated by protein chromobacterium violaceum transcriptional regulator (CviR) against Chromobacterium violaceum to overcome bacterial multidrug resistance. Aided with virtual screening results of structural based designed hybrids of 2-indolinone- thiazolodine Scaffold on the CviR active pocket residues a panel of novel hybrids were synthesized. The ability of these molecules to inhibit the QS system were tested and a promising two candidates of the designed hybrids revealed promising antivirulence agents to disarm bacterial resistance in the tested bacteria.  Moreover, biofilm formation, and motility were also impaired in treated cultures. Molecular docking of designed compounds was comparable with the native inhibitor Chlorolactone (CL) of CviR. The global chemical descriptors were calculated for native inhibitor CL and the promising compounds and found to be more reactive than the native inhibitor CL. In silico ADME prediction profiles of these lead compounds showed good ADME profiles.
What will audience learn from your presentation?

• Potential of Structure based drug design for drug discovery and development
• How to improve the activities of the bioactive molecules  
• Searching for new leads to overcome of global disaster 
• Opening the windows for global scientific collaborations
• Improvement of the accuracy of drug design and providing new information to assist in solving drug design problems

Biography:

Wesam S. Qayed received her B.Sc (Honors) in 2002 and M.Sc in 2005, both in Pharmaceutical Sciences from Faculty of Pharmacy, Assiut university, Egypt. In 2016, She obtained her PhD in Medicinal Chemistry from Faculty of pharmacy, Assiut university, Egypt. During (2012-2014) she was a visiting researcher at Chemistry Department at University of Louisville, KY, USA. she is ACS member. She has been working since 2017 in research projects related to anticancer, antiviral and antiTB research. Throughout this time, she helped in establishing “computer-aided drug design unit” which aims to train postgraduate students and academic using “Molecular Operating Environment” software and other computational programs. Further, it carries out research related to designing new druggable compounds against variable diseases. She has active interest in several areas of medicinal chemistry. In particular, her research lies at the interface of structure-based, ligand-based drug design and other computer aided design tools for discovery of candidate molecules against infectious diseases and cancer.