Author(s): Suraj S. Tarihalkar, Vipul Patil, Sachin Kumar Patil

Email(s): tarihalkarsuraj262@gmail.com , vipulpatil1230@gmail.com , sachinpatil.krd@gmail.com

DOI: 10.52711/2231-5713.2024.00032   

Address: Suraj S. Tarihalkar1*, Vipul Patil2, Sachin Kumar Patil3
1Department of Pharmaceutical Quality Assurance, Ashokrao Mane College of Pharmacy, Shivaji University, Pethvadgaon, Kolhapur, Maharashtra, India.
2Department of Pharmaceutical Chemistry, Ashokrao Mane College of Pharmacy, Peth Vadgaon, Maharashtra, India.
3Principal, Ashokrao Mane College of Pharmacy, PethVadgaon, Maharashtra, India.
*Corresponding Author

Published In:   Volume - 14,      Issue - 3,     Year - 2024


ABSTRACT:
Plants produce phytochemicals with pharmacological properties that have been demonstrated in various conditions. In-silico techniques like molecular docking and virtual screening are being used to clarify the pharmacological aspects of bioactive chemicals of botanical origin. Aromatherapy has focused on plant secondary metabolites' anti-inflammatory, antioxidant, and anticancer capabilities. Essential oils contain monoterpenes and sesquiterpenes, which have several pharmacological activities. Salaciaoblongais a perennial plant with a long tradition of use in Ayurvedic medicine. It contains polyphenols, triterpenes of the friedelane and norfriedelane kinds, sesquiterpenes of the eudesmane type, and glycosides. The extract has positive pharmacological effects due to its interactions with molecular targets inside the human body. The primary goals of the current investigation were to investigate the bioactive compounds and isolates of Salaciaoblonga Wall extract with the receptors 5HZN (BRCA 3) and 1Q1A (IR). Bioactive compounds included 2,4- dimethylamphetamine, 19-hydroxyferruginol, Cyclotrisiloxane, Dulcitol, Epicatechin, Galactinol, Hexadecanoic acid, Kotalagenin-16-acetate, Kotalanol, Lambertic acid, Mangiferin, Neokotalanol, Neosalacinol, Quercetin, Raffinose, Salaciaoblonga Wall, Salasone A, Salasol B, Salasone C, Salasone D, Salasone E, Stachyose, and Trichloroacetic acid. Autodock 4.2.6 was used to dock these compounds to a chosen protein. Molecular docking data was used to identify the optimal binding conformation of inhibitors to enzymes, and protein-ligand complexation provided information on interactions. Salaciaoblonga had the best docking positions and free energy scores, but some had substandard ADME characteristics. This study paves the way for the development of novel medications against cancer-associated molecular targets.


Cite this article:
Suraj S. Tarihalkar, Vipul Patil, Sachin Kumar Patil. Anti-Cancer Potential of Salaciaoblonga Wall Compounds by Targeting 5HZN and 1Q1A Receptor: A Comprehensive Molecular Docking and Simulation Approaches. Asian Journal of Pharmacy and Technology. 2024; 14(3):187-8. doi: 10.52711/2231-5713.2024.00032

Cite(Electronic):
Suraj S. Tarihalkar, Vipul Patil, Sachin Kumar Patil. Anti-Cancer Potential of Salaciaoblonga Wall Compounds by Targeting 5HZN and 1Q1A Receptor: A Comprehensive Molecular Docking and Simulation Approaches. Asian Journal of Pharmacy and Technology. 2024; 14(3):187-8. doi: 10.52711/2231-5713.2024.00032   Available on: https://ajptonline.com/AbstractView.aspx?PID=2024-14-3-1


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