Author(s):
Kartik D. Divekar, Shital R. Kalekar, Shreya Kirti, Shital Phadtare
Email(s):
kalekar15shital@gmail.com
DOI:
10.52711/2321-5844.2026.00016 
Address:
Kartik D. Divekar, Shital R. Kalekar, Shreya Kirti, Shital Phadtare
1Student, DY Patil School of Pharmacy Ambi Pune, Maharashtra, India.
2Assistant Professor, DY Patil School of Pharmacy Ambi Pune, Maharashtra, India.
*Corresponding Author
Published In:
Volume - 17,
Issue - 2,
Year - 2026
ABSTRACT:
Acne vulgaris is a common inflammatory skin disorder associated with microbial infection, oxidative stress, and increased sebum production. Herbal medicines containing bioactive phytoconstituents have gained attention due to their therapeutic potential and reduced side effects. The present study aimed to evaluate the anti-acne activity of phytoconstituents present in Tagetes erecta (marigold) and Cynodon dactylon (Durva) using molecular docking analysis. Major phytoconstituents such as lutein, zeaxanthin, hexadecanoic acid, phytol, stigmasterol, p-coumaric acid, vitexin, and luteolin were selected for docking studies against acne-related target proteins including cyclooxygenase-2 (COX-2, PDB ID: 3V3V), androgen receptor (PDB ID: 6GVB), and bacterial target protein (PDB ID: 7LBV). Docking was performed using AutoDock tools, and binding affinity was expressed in kcal/mol. Among all compounds, luteolin exhibited the highest binding affinity against COX-2 (-10.226 kcal/mol), indicating strong anti-inflammatory potential. p-Coumaric acid and vitexin also demonstrated significant binding interactions. The obtained results suggest that phytoconstituents from marigold and Durva possess promising anti-acne activity and may serve as potential natural therapeutic agents for herbal topical formulations.
Cite this article:
Kartik D. Divekar, Shital R. Kalekar, Shreya Kirti, Shital Phadtare. In-Silico study of Durva and Marigold for Anti-acne effect. Research Journal of Topical and Cosmetic Sciences. 2026; 17(2):101-8. doi: 10.52711/2321-5844.2026.00016
Cite(Electronic):
Kartik D. Divekar, Shital R. Kalekar, Shreya Kirti, Shital Phadtare. In-Silico study of Durva and Marigold for Anti-acne effect. Research Journal of Topical and Cosmetic Sciences. 2026; 17(2):101-8. doi: 10.52711/2321-5844.2026.00016 Available on: https://rjtcsonline.com/AbstractView.aspx?PID=2026-17-2-1
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