Author(s):
Shalini Shinde, Sakshi Chougule, Sonali Kolekar, Purva Kesarkar, Akash Thombre, Aniket Thanekar, Dhanraj Jadge
Email(s):
ms.shalinishinde177@gmail.com
DOI:
10.52711/2231-5659.2026.00005 
Address:
Shalini Shinde1*, Sakshi Chougule1, Sonali Kolekar1, Purva Kesarkar1, Akash Thombre2, Aniket Thanekar1, Dhanraj Jadge1
1Womens College of Pharmacy, Peth-Vadgaon 416 112, India.
2Ashokrao Mane Institute of Pharmacy, Ambap 416 112, India.
*Corresponding Author
Published In:
Volume - 16,
Issue - 1,
Year - 2026
ABSTRACT:
Parasitic infections pose a significant global health challenge, particularly in economically disadvantaged regions. Leishmaniasis, caused by Leishmania parasites, remains a major concern due to its severe clinical manifestations and limited treatment options. This study explores the inhibition of cytochrome P450 enzyme sterol 14a-demethylase (CYP51) as a potential therapeutic strategy against Leishmania species. The Berberis brandisiana and Berberis lambertii plants have the potential to treat various diseases. It is also known to be enriched with multiple phytoconstituents that were subjected to molecular docking against CYP51. A molecular docking approach was utilized to screen natural phytochemicals for their inhibitory potential against CYP51. The binding interactions of 13 phytochemical compounds were analyzed using PyRx software, with Isoboldine and Oxycanthine showing the highest binding affinities. ADMET predictions confirmed their drug-like properties, indicating favorable pharmacokinetics and minimal toxicity. The findings highlight promising lead compounds for further development of anti-leishmanial drugs. Future research should focus on the experimental validation and optimization of these compounds for clinical applications.
Cite this article:
Shalini Shinde, Sakshi Chougule, Sonali Kolekar, Purva Kesarkar, Akash Thombre, Aniket Thanekar, Dhanraj Jadge. Molecular Docking and ADMET properties of Phytochemicals of plant Berberis brandisiana and Berberis lambertii on Leishmaniasis: An In-silico Analysis. Asian Journal of Research in Pharmaceutical Sciences. 2026; 16(1):25-0. doi: 10.52711/2231-5659.2026.00005
Cite(Electronic):
Shalini Shinde, Sakshi Chougule, Sonali Kolekar, Purva Kesarkar, Akash Thombre, Aniket Thanekar, Dhanraj Jadge. Molecular Docking and ADMET properties of Phytochemicals of plant Berberis brandisiana and Berberis lambertii on Leishmaniasis: An In-silico Analysis. Asian Journal of Research in Pharmaceutical Sciences. 2026; 16(1):25-0. doi: 10.52711/2231-5659.2026.00005 Available on: https://ajpsonline.com/AbstractView.aspx?PID=2026-16-1-5
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