AUTHOR=Chavda Vivek P. , Ertas Yavuz Nuri , Walhekar Vinayak , Modh Dharti , Doshi Avani , Shah Nirav , Anand Krishna , Chhabria Mahesh 

TITLE=Advanced Computational Methodologies Used in the Discovery of New Natural Anticancer Compounds

JOURNAL=Frontiers in Pharmacology

VOLUME=Volume 12 - 2021

YEAR=2021

URL=https://www.frontiersin.org/journals/pharmacology/articles/10.3389/fphar.2021.702611

DOI=10.3389/fphar.2021.702611

ISSN=1663-9812

ABSTRACT=Natural compounds have been widely investigated for their programmed necrosis impending for more than half an era. Natural compounds used as concoctions or concentrated plant extracts without isolation of active moieties are the conventional method for the screening of the plant for its desired pharmacological activity. Modern medicine relies on the isolation and purification of complicated one or two active and isomeric compounds. Extraordinary chemical diversity, large natural moieties convert into small potent molecules which significantly play an important role in multi-target pharmacology. With remarkable and tremendous advancement, carrying natural compounds for clinical use and discovery of new chemical entity (NCE) is a considerable challenge to continue forward. This mini-review summarizes the key advancements in natural anticancer compounds; computer-assisted/fragment-based structural elucidation and a multi-target approach for the exploration of natural compounds.