In Silico Molecular Docking Study of Kaayakam Lehyam Bioactives in Postpartum Recovery: An oncological perspective

Abstract

Kaayakam Lehyam, an Ayurvedic polyherbal formulation. Used in postpartum recovery. Attributed to its therapeutic core of diverse bioactive compounds. To further understand and elucidate the purported postpartum benefits found for Kaayakam Lehyam, the current study was conducted. To visualize the molecular interactions between its pharmacologically active constituents and key protein targets associated with promoting optimal postpartum health. The primary active compounds, studied Piperine from Piper longum, Gingerol from Zingiber officinale, Chebulic acid from Terminalia chebula, Curcumin from Curcuma longa, and With anolides from Withania somnifera. The Phyre2 software assisted in creating these compounds 3D structures. Which have then been utilized for performing molecular docking simulation studies to find binding affinities as well as binding interaction patterns with previously mentioned key biomolecular such protein targets such as TRPV1, COX-2, PARP1, NF-κB and GR. Several of these molecular targets are also extensively studied in cancer biology due to their shared regulatory pathways rather than direct oncologhical application.Along with molecular docking simulations and in vitro pharmacology experimental data, these findings illustrate crucial impacts of the major binding interactions. Importantly by putting in the literature explaining further insights of possible molecular mechanisms impacting Kaayakam Lehyam's actions. The phylogenetic analysis spotlights the molecular chorus of protein targets, bioactives of Kaayakam Lehyam, that are found to support the control the postpartum restorative inundation. This spotlights the potentiality of multi-targeted organic modalities that support postpartum recovery from various simultaneous sleeves.