Anticancer Drug Discovery Based on Natural Products: From Computational Approaches to Clinical Studies
Authors
Pritee Chunarkar-Patil
Department of Bioinformatics, Rajiv Gandhi Institute of IT and Biotechnology, Bharati Vidyapeeth (Deemed to be University), Pune 411046, Maharashtra, India
Himanshu Singh
Department of Systems Biology, Columbia University Irving Medical Center, New York, NY 10032, USA
Rajni Dubey
Division of Cardiology, Department of Internal Medicine, Taipei Medical University Hospital, Taipei 11031, Taiwan
Sagar Bhayye
Department of Bioinformatics, Rajiv Gandhi Institute of IT and Biotechnology, Bharati Vidyapeeth (Deemed to be University), Pune 411046, Maharashtra, India
Devvret Verma
Department of Biotechnology, Graphic Era (Deemed to be University), Dehradun 248002, Uttarkhand, India; [email protected]
Aftab Ahmad
Health Information Technology Department, The Applied College, King Abdulaziz University, Jeddah 21589, Saudi Arabia
Subhasree Ray
Department of Life Science, Sharda School of Basic Sciences and Research, Greater Noida 201310, Uttar Pradesh, India
Richa Mishra
Department of Computer Engineering, Parul University, Ta. Waghodia, Vadodara 391760, Gujarat, India; [email protected]
Mohammed Kaleem
Department of Pharmacology, Dadasaheb Balpande, College of Pharmacy, Nagpur 440037, Maharashtra, India; [email protected]
Sanjay Kumar
Biological and Bio-Computational Lab, Department of Life Science, Sharda School of Basic Sciences and Research, Sharda University, Greater Noida 201310, Uttar Pradesh, India
Keywords:
natural product, anticancer drug discovery, computational drug design, clinical trials, molecular dynamics, drug design
Abstract
Globally, malignancies cause one out of six mortalities, which is a serious health problem. Cancer therapy has always been challenging, apart from major advances in immunotherapies, stem cell transplantation, targeted therapies, hormonal therapies, precision medicine, and palliative care, and traditional therapies such as surgery, radiation therapy, and chemotherapy. Natural products are integral to the development of innovative anticancer drugs in cancer research, offering the scientific community the possibility of exploring novel natural compounds against cancers. The role of natural products like Vincristine and Vinblastine has been thoroughly implicated in the management of leukemia and Hodgkin’s disease. The computational method is the initial key approach in drug discovery, among various approaches. This review investigates the synergy between natural products and computational techniques, and highlights their significance in the drug discovery process. The transition from computational to experimental validation has been highlighted through in vitro and in vivo studies, with examples such as betulinic acid and withaferin A. The path toward therapeutic applications have been demonstrated through clinical studies of compounds such as silvestrol and artemisinin, from preclinical investigations to clinical trials. This article also addresses the challenges and limitations in the development of natural products as potential anti-cancer drugs. Moreover, the integration of deep learning and artificial intelligence with traditional computational drug discovery methods may be useful for enhancing the anticancer potential of natural products.
Keywords: natural product, anticancer drug discovery, computational drug design, clinical trials, molecular dynamics, drug design
Author Biography
Aftab Ahmad, Health Information Technology Department, The Applied College, King Abdulaziz University, Jeddah 21589, Saudi Arabia
Pharmacovigilance and Medication Safety Unit, Center of Research Excellence for Drug Research and Pharmaceutical Industries, King Abdulaziz University, Jeddah 21589, Saudi Arabia
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