Khaled Elokely, PhD

Education:

B.Sc., Pharmaceutical Sciences, Tanta University

M.Sc., Pharmaceutical Analysis, Tanta University

Ph.D., Medicinal Chemistry, The University of Mississippi

Postdoctoral, Drug Discovery, Temple University

 

Bio:

Dr. Khaled Elokely specializes in the integration of computational and medicinal chemistry for innovative drug design and development at the University of Wyoming. With a background in pharmaceutical sciences and a Ph.D. from the University of Mississippi, Dr. Elokley's expertise extends to quality control and assurance of active pharmaceutical ingredients (APIs), adding a valuable dimension to his research and teaching.

Dr. Elokely's research program focuses on unraveling the complexities of drug recognition at the molecular level. His work employs cutting-edge computational techniques alongside modern medicinal chemistry approaches, including AI-integrated drug discovery, structure-based design, and advanced synthetic methodologies. Current research projects span a wide range of critical areas, including the development of novel therapeutic approaches for neurodegenerative disorders such as Alzheimer's and Parkinson's diseases, development of selective opioid modulators, conception of computational frameworks for natural product analysis, and exploration of novel targets in cancer treatment.

As an educator, Dr. Elokely brings his extensive experience to the classroom, teaching Medicinal Chemistry and Drug Design courses. He is committed to fostering the next generation of scientists, guiding students in developing and executing impactful research projects. His work is supported by various grants and academic partnerships. Through his integrated approach to computational and medicinal chemistry, coupled with his background in API quality assurance, Dr. Elokely continues to contribute to the advancement of drug discovery and development, aiming to address complex medical conditions with more effective and targeted therapeutics.

 

Research Synopsis

Dr. Khaled M. Elokely is an accomplished researcher in rational drug design and computational medicinal chemistry, integrating structure-based and ligand-based modeling, bioisosteric replacement strategies, machine learning algorithms, synthetic methodologies, and spectroscopic techniques to discover and optimize pharmacologically active compounds. His interdisciplinary work focuses on developing novel inhibitors targeting neurodegenerative diseases (e.g., Alzheimer's and Parkinson's via cyclin dependent kinase 5, sigma 2 receptor, monoamine oxidase B and glycogen synthase kinase-3 modulation), infectious diseases (e.g., COVID-19 through SARS-CoV-2 main protease inhibitors and HCV NS5A/NS5B inhibitors), cancer (e.g., melanoma, glioblastoma, triple-negative breast cancer, and inherited retinal degeneration via histone deacetylase, PARP-1, and EGFR inhibitors), and autoimmune disorders (e.g., via Kv1.3 voltage-gated potassium channel modulators for immunomodulation). Additional research explores natural products and phytochemistry for antitrypanosomal and anti-MRSA agents, cannabinoid and transient receptor potential (TRP) channel modulation, opioid use disorder treatments with selective modulators, and quality control of active pharmaceutical ingredients.

 

Dr. Elokely has successfully secured competitive funding as Principal Investigator or Co-Principal Investigator from the NIH, NSF (including REU Site grants), NAS, IDeA Networks of Biomedical Research Excellence (INBRE), and State (PA CURE), alongside hardware grants from NVIDIA and academic software licenses (e.g., Biovia, OpenEye, ChemAxon) to support high-performance computational infrastructure. Notable outcomes include the identification of allosteric SARS-CoV-2 protease inhibitors, selective opioid modulators for opioid use disorder, and novel histone deacetylase inhibitors as anticancer agents. His research is further bolstered by access to University of Wyoming HPC resources and collaborations across computational biology, pharmacology, and industry partners.

Complementing his academic pursuits, Dr. Elokely brings industrial experience through consultancy roles with pharmaceutical and biotechnology firms, including Rapafusyn Research and Development, Therapy Architects, Progenra, and Myto Health, where he advised on drug design, molecular modeling, quality assurance strategies, and bridging academic research with practical applications. He also served as an ad hoc reviewer for the NIH Drug Discovery and Molecular Pharmacology Study Section, external reviewer for international grant agencies like FONDECYT (Chile), and editorial board member for journals such as Biomedicines, and Frontiers in Drug Discovery.

 

With over 50 peer-reviewed publications in high-impact journals such as Cancer Research, Proceedings of the National Academy of Sciences, Journal of Chemical Information and Modeling, Antiviral Research, Bioorganic & Medicinal Chemistry, Bioorganic Chemistry, International Journal of Molecular Sciences, Journal of Natural Products, and Phytomedicine, Dr. Elokely's contributions have garnered recognition, including features in Nature Middle East and Life Science Weekly, as well as the Teach-Discover-Treat KNIME Award for structure-based drug design innovations. He has also authored five textbooks on deductive pharmaceutical chemistry, forensic chemistry, drug design, and organic chemistry.

Short Summary

Dr. Khaled M. Elokely, Assistant Professor in the Department of Pharmaceutical Sciences at the University of Wyoming School of Pharmacy, advances computational medicinal chemistry and rational drug design to create targeted therapeutics for neurodegenerative disorders (e.g., Alzheimer's and Parkinson's), cancer, autoimmune conditions, infectious diseases, and opioid use disorder. Supported by extramural fundings, his research has produced innovative modulators, including SARS-CoV-2 protease inhibitors, Kv1.3 modulators, and histone deacetylase inhibitors, contributing to over 50 publications, a forthcoming article in Cancer Research, and editorial/review roles for prestigious journals and funding bodies. His industrial consultancy with firms focused on drug design, molecular modeling, and quality assurance to translate academic insights into practical applications.

 

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