IN SILICO APPROACHES OF (E)-PHYTOL TO INHIBIT THE ACTIVITY OF PREVENTING SARS-COV-2 AND COLORECTAL CANCER

 

IN SILICO APPROACHES OF (E)-PHYTOL TO INHIBIT THE ACTIVITY OF PREVENTING SARS-COV-2 AND COLORECTAL CANCER

 

Abul Bashar Ripon Khalipha ^1.2*, Khadiza Akter¹, Samia Zaman Tanny³

¹Bangabandhu Sheikh Mujibur Rahman Science & Technology University, Gopalganj, Bangladesh
²Evergreen Scientific Research Centre, Gopalganj-8100, Bangladesh
³PhD Fellow, Department of Pharmacy, Jahangirnagar University, Savar Dhaka.

^*Corresponding Author: Abul Bashar Ripon Khalipha

E-mail: khalipha1982@gmail.com

ABSTRACT

The plant-derived flavonoid, (E)-phytol has many important biological activities, including anti-cancer activity. This study aims to perform an in-silico study on (E)-phytol against several structural and non-structural and Colorectal Cancer and host proteins. Molecular docking studies were carried out using compounds against viral S protein, ERK1/2, JNK, and p38 MAPK. apoptosis (e.g., BAX, BCL2, CASP3) and cell cycle regulation (e.g., CCND1, CDK4). caspases (e.g., Caspase-3, Caspase-9), Bcl-2 family proteins (e.g., Bcl-2, Bax), and death receptors (e.g., Fas, TNF-R1). ERK1/2, P38 MAPK, BAX, BCL2, CASP3, TNF-R1 proteins. (E)-phytol showed strong interactions with the CASP3, BAX, nsp15, calcineurin–NFAT and IKK proteins. It also showed the interactions with the other tested proteins. In all cases, (E)-phytol showed better binding affinities than the commercially available anti-viral drugs that are currently underused in SARS-COV-2 and Colorectal Cancer. (E)-phytol may be one of the potential targets to fight against cancer including colorectal Cancer. Further, in vivo studies should be required to support the findings of this study.

Anti-viral activity of (E)-phytol

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TAG: IJISDD

DOI: 10.5281/zenodo.15010263