Guest Editors
Dr. Ajmal Khan
Email: ajmalkhan@unizwa.edu.om
Affiliation: Natural & Medical Sciences Research Center, University of Nizwa, Nizwa, 616, Oman; Department of Chemical and Biological Engineering, College of Engineering, Korea University, Sejong, Korea, Republic of
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Research Interests: molecular and pharmacophore modeling, cancer research, enzyme inhibition, in vivo studies
Dr. Najeeb Ur Rehman
Email: najeeb@unizwa.edu.om
Affiliation: Natural & Medical Sciences Research Center, University of Nizwa, Nizwa, 616, Oman
Homepage:
Research Interests: phytochemistry, natural products, synthesis, medicnal chemsitry
Summary
Cancer continues to be a significant worldwide health concern, requiring the ongoing development of novel therapeutic approaches that provide increased effectiveness and less toxicity. The purpose of this proposal is to create and explore new molecular frameworks for the selective targeting of important enzymes linked to the development, survival, and metastasis of cancer. The research aims to find small-molecule candidates with enhanced anticancer potential by combining rational drug design, synthetic chemistry, and mechanistic evaluation.
The synthesis of structurally varied scaffolds designed to modify enzyme activity implicated in dysregulated cellular processes like proliferation, death, and metabolic reprogramming would be the main emphasis of the proposed study. Potency and selectivity will be assessed using thorough in vitro enzyme inhibition tests, and antiproliferative activity against pertinent cancer cell lines will be evaluated using cellular investigations. In order to provide mechanistic insight into enzyme inhibition, sophisticated computational techniques such as molecular docking and dynamics simulations will be employed to clarify binding interactions and structure–activity connections.
By constructing novel molecular frameworks with well-defined mechanisms of action, the results of this study are anticipated to provide important insights into the search for anticancer drugs and ultimately aid in the development of promising enzyme-targeted anticancer treatments.
Keywords
anticancer drug discovery, enzyme inhibition, novel molecular frameworks, structure–activity relationship, molecular docking, mechanistic studies, targeted cancer therapy, computational modeling; small-molecule inhibitors, therapeutic relevance
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