• Dr.S.A.Mohamed Shiek Arabath
• Dr.S.Jayaprakash
• S.Kamalahasan
• O.R.Annapoorani,
• V.Daniel Thomas, 6.P.Divyabharathi, 7.N.Manikandan.,

Merremia emarginata Burm.f (Convolvulaceae) is a perennial, much-branched herb present throughout India. There are multiple pharmacological effects of Merremia emarginata has been reported. As the structures of more and more proteins and nucleic acids become available, molecular docking is increasingly considered for lead discovery. In this study the structures of the ligands were generated in the CDX format using the tool Chem Draw ultra-version 8.0. The Maestro suite 2021-4 was used to perform molecular docking. MD simulation was performed using Macro model Version 9.0. ADMET prediction for the top docking hits was calculated by using the Qikprop module of the Schrodinger suite program. The present investigation helped in recognizing the role of some lead molecules such as quercetin and chlorogenic acid. Results from the in-silico study revealed that many of the phytoconstituents of Merremia emarginata may be used fully against MAPK14 and produce anti-inflammatory action.

Molecular docking, Merremia emarginata, MAPK14, Anti-inflammatory.

"MOLECULAR DOCKING STUDY OF POTENTIAL PHYTOCHEMICALS OF MERREMIA EMARGINATA AND THEIR ANTI INFLAMATORY EFFECT ON THE P38 MITOGEN ACTIVATED PROTEIN KINASE ENZYME", International Journal of Emerging Technologies and Innovative Research (www.jetir.org), ISSN:2349-5162, Vol.10, Issue 3, page no.h132-h143, March-2023, Available :http://www.jetir.org/papers/JETIR2303722.pdf

"MOLECULAR DOCKING STUDY OF POTENTIAL PHYTOCHEMICALS OF MERREMIA EMARGINATA AND THEIR ANTI INFLAMATORY EFFECT ON THE P38 MITOGEN ACTIVATED PROTEIN KINASE ENZYME", International Journal of Emerging Technologies and Innovative Research (www.jetir.org | UGC and issn Approved), ISSN:2349-5162, Vol.10, Issue 3, page no. pph132-h143, March-2023, Available at : http://www.jetir.org/papers/JETIR2303722.pdf