Phytochemical Analysis, In Vitro Biological Activities, and Computer-Aided Analysis of <i>Potentilla nepalensis</i> Hook Compounds as Potential Melanoma Inhibitors Based on Molecular Docking, MD Simulations, and ADMET
Subhash Sharma,
Vikas Kumar,
Muhammad Yaseen,
Amr S. Abouzied,
Abgeena Arshad,
Mashooq Ahmad Bhat,
Ahmed M. Naglah,
Chirag N. Patel,
Prasanth Kumar Sivakumar,
Anuradha Sourirajan,
Adnan Shahzad,
Kamal Dev
Affiliations
Subhash Sharma
Faculty of Applied Sciences and Biotechnology, Shoolini University, P.O. Box 9, Head Post Office, Solan 173212, India
Vikas Kumar
Department of Biotechnology, University Institute of Biotechnology, Chandigarh University, Gharuan, Mohali 140413, India
Muhammad Yaseen
Institute of Chemical Sciences, University of Swat, Charbagh, Swat 19130, Pakistan
Amr S. Abouzied
Department of Pharmaceutical Chemistry, National Organization for Drug Control and Research (NODCAR), Giza 12311, Egypt
Abgeena Arshad
Asian Medical Institute, Kant 725013, Kyrgyzstan
Mashooq Ahmad Bhat
Department of Pharmaceutical Chemistry, College of Pharmacy, King Saud University, Riyadh 11451, Saudi Arabia
Ahmed M. Naglah
Department of Pharmaceutical Chemistry, College of Pharmacy, King Saud University, Riyadh 11451, Saudi Arabia
Chirag N. Patel
Department of Botany, Bioinformatics and Climate Change Impacts Management, University School of Science, Gujarat University, Ahmedabad 380009, India
Prasanth Kumar Sivakumar
Department of Botany, Bioinformatics and Climate Change Impacts Management, University School of Science, Gujarat University, Ahmedabad 380009, India
Anuradha Sourirajan
Faculty of Applied Sciences and Biotechnology, Shoolini University, P.O. Box 9, Head Post Office, Solan 173212, India
Adnan Shahzad
Institute of Chemical Sciences, University of Swat, Charbagh, Swat 19130, Pakistan
Kamal Dev
Faculty of Applied Sciences and Biotechnology, Shoolini University, P.O. Box 9, Head Post Office, Solan 173212, India
Potentilla nepalensis Hook is a perennial Himalayan medicinal herb of the Rosaceae family. The present study aimed to evaluate biological activities such as the antioxidant, antibacterial, and anticancer activities of roots and shoots of P. nepalensis and its synergistic antibacterial activity with antibacterial drugs. Folin–Ciocalteau and aluminium chloride methods were used for the calculation of total phenolic (TPC) and flavonoid content (TFC). A DPPH radical scavenging assay and broth dilution method were used for the determination of the antioxidant and antibacterial activity of the root and shoot extracts of P. nepalensis. Cytotoxic activity was determined using a colorimetric MTT assay. Further, phytochemical characterization of the root and shoot extracts was performed using the Gas chromatography–mass spectrophotometry (GC-MS) method. The TPC and TFC were found to be higher in the methanolic root extract of P. nepalensis. The methanolic shoot extract of P. nepalensis showed good antioxidant activity, while then-hexane root extract of P. nepalensis showed strong cytotoxic activity against tested SK-MEL-28 cells. Subsequently, in silico molecular docking studies of the identified bioactive compounds predicted potential anticancer properties. This study can lead to the production of new herbal medicines for various diseases employing P. nepalensis, leading to the creation of new medications.
