Computational Approaches Used in Anticancer Plants

Abstract

Cancer affects millions of people worldwide. A lot of research is conducted to find effective and low-cost medicine. Plant-derived natural-based products have gained attention over the past decades as novel therapeutic agents. Nature is an enormous source of therapeutic candidate compounds with its chemical diversity. Anticancer plant metabolites are imminent substitutions to chemically synthesized drugs in the progression of drug discovery. Potential anticancer molecules can be identified by bioinformatics-based tools. Computational approaches may thus pave the way for fast and cost-effective identification of potential drug candidates and molecular targets. In this chapter, we provide an overview of the use of herbal resources for cancer treatment, drug design strategies-in, particularly structure-based drug design, and example applications of drug design for plant-based compounds. © 2023 Elsevier B.V., All rights reserved.