Computational analysis of Ayurvedic herbs to explore their potential role as anti-cervical cancer agents.

Cervical cancer is one of the common types of cancer in women. Treatment regimens include use of chemotherapy but it leads to certain side effects thereby creating a need for safer therapeutic options. Ayurveda has a great potential to provide better treatment strategies. In this study, computational approaches have been employed to investigate the molecular mechanism of anti-cervical cancer Ayurvedic herbs. Initially, Ayurvedic plants possessing anti-cervical cancer activities were obtained from literature. Bioactive compounds present in such plants were evaluated for drug-likeliness, biological functions and associations with cancer-related pathways. This resulted in the most promising drug-like bioactive compounds which were found to target cancer pathways like microRNA and proteoglycans, Human papillomavirus infection. Anti-cervical cancer activity possessing herbs derived from the study include Camellia sinensis, Equisetum arvense, Rosmarinus officinalis. Major bioactive compounds extracted from the enlisted herbs that contribute in promoting anti-cervical cancer effects include allicin, apigenin, and mataresinol. Overall, our study has provided insights into the scientific mechanism behind anti-cervical cancer activities of the indigenous herbs of Ayurveda. In addition, this study has also highlighted key bioactive compounds which have a potential in targeting cancer related pathways and thus can further be utilized to devise better therapeutics to cure cervical cancer.