Molecular Docking Studies for the Assessment of Wound Healing Activity of Phytoconstituents in Heliotropium Indicum


Authors : D. Nagavalli; M. Gokulkannan; S. Gurunathan; V. Manikandan; V. Kamesh; N. Poongundran

Volume/Issue : Volume 8 - 2023, Issue 9 - September

Google Scholar : https://bit.ly/3TmGbDi

Scribd : https://tinyurl.com/2yzrhnfs

DOI : https://doi.org/10.5281/zenodo.8376355

Abstract : One of the most crucial and complex processes is the skin's multi-stage process of healing after an injury. Heliotropium indicum is a potent antibiotic, anti- inflammatory, anti-neoplastic, anti-oxidant, and wound- healing agent. Heliotropium indicum Linn is the source of the chemical compound in question, which is abundant in sterols, ammines, volatile oils, and the pyrrolizidine alkaloids. Molecular docking studies were conducted on Heliotropium indicum using Argus lab 4.0.1 and Autodock 1.5.7. The proteins PDB ID:1YXO, 3V18, and 4G8R were selected because of their role in wound healing. The pieces work together with the protein responsible for mending wounds. The binding affinities of mupirocin and nitrofurazone are higher than those of the components stigmasterol, eugenol, borneol, and campesterol. In order to better customize Heliotropium indicum to our requirements, we now have a better knowledge of the components of the molecule that interact with their receptors in the wound healing process.

Keywords : Docking, Heliotropium Indicum, Wound Healing, Software’s.

One of the most crucial and complex processes is the skin's multi-stage process of healing after an injury. Heliotropium indicum is a potent antibiotic, anti- inflammatory, anti-neoplastic, anti-oxidant, and wound- healing agent. Heliotropium indicum Linn is the source of the chemical compound in question, which is abundant in sterols, ammines, volatile oils, and the pyrrolizidine alkaloids. Molecular docking studies were conducted on Heliotropium indicum using Argus lab 4.0.1 and Autodock 1.5.7. The proteins PDB ID:1YXO, 3V18, and 4G8R were selected because of their role in wound healing. The pieces work together with the protein responsible for mending wounds. The binding affinities of mupirocin and nitrofurazone are higher than those of the components stigmasterol, eugenol, borneol, and campesterol. In order to better customize Heliotropium indicum to our requirements, we now have a better knowledge of the components of the molecule that interact with their receptors in the wound healing process.

Keywords : Docking, Heliotropium Indicum, Wound Healing, Software’s.

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