In silico Docking of Phytochemicals from Indigofera aspalathoides to Identify Potent Inhibitors of Map Kinase

C.S. Sundaram

PG & Research Department of Microbiology, Hindustan College of Arts & Science, India

L. Krishnasamy

PG & Research Department of Biotechnology, Hindustan College of Arts & Science, India

T. Ramesh

PG & Research Department of Biotechnology, Hindustan College of Arts & Science, India

M. Mohanapriya

PG & Research Department of Biotechnology, Hindustan College of Arts & Science, India

U.S.M. Rao

Faculty of Medicine, Universiti Sultan Zainal Abidin, Terengganu, Malaysia

M. Iqbal

Department of Agricultural Chemistry and Biochemistry, The University of Agriculture, Peshawar, Pakistan

Received
10 Nov, 2021

Accepted
12 Jan, 2022

Published
14 Feb, 2022

In the present article, around 40 compounds from Indigofera aspalathoides were screened for inhibition of MAP Kinase, as mitogen-activated protein Kinase plays a vital role in many signaling pathways for transducing the extracellular signals. Screening of MAPK inhibitors is essential for direct inhibition of other effector proteins downstream in MAPK pathway. For this purpose In silico molecular modeling and molecular docking were performed to predict the variation in binding efficiency of a diverse set of compounds. The bonding energy and docking score were utilized to determine the binding efficiency of tested compounds. Results showed that the three compounds were found to be a potent inhibitors of MAPK. It was concluded that these compounds might be explored for inhibiting MAPK and other proteins involved in cell proliferation and cell division in diseases related to neuronal dysfunction and tumorigenesis.

How to Cite this paper?

APA-7 Style
Sundaram, C.S., Krishnasamy, L., Ramesh, T., Mohanapriya, M., Rao, U.M., Iqbal, M. (2022). In silico Docking of Phytochemicals from Indigofera aspalathoides to Identify Potent Inhibitors of Map Kinase. Pakistan Journal of Chemistry, 12(1-2), 8-12. https://doi.org/10.15228/2022.v12.i01-2.p02

ACS Style
Sundaram, C.S.; Krishnasamy, L.; Ramesh, T.; Mohanapriya, M.; Rao, U.M.; Iqbal, M. In silico Docking of Phytochemicals from Indigofera aspalathoides to Identify Potent Inhibitors of Map Kinase. Pak. J. Chem. 2022, 12, 8-12. https://doi.org/10.15228/2022.v12.i01-2.p02

AMA Style
Sundaram CS, Krishnasamy L, Ramesh T, Mohanapriya M, Rao UM, Iqbal M. In silico Docking of Phytochemicals from Indigofera aspalathoides to Identify Potent Inhibitors of Map Kinase. Pakistan Journal of Chemistry. 2022; 12(1-2): 8-12. https://doi.org/10.15228/2022.v12.i01-2.p02

Chicago/Turabian Style
Sundaram, C., S., L. Krishnasamy, T. Ramesh, M. Mohanapriya, U.S. M. Rao, and M. Iqbal. 2022. “In silico Docking of Phytochemicals from Indigofera aspalathoides to Identify Potent Inhibitors of Map Kinase” Pakistan Journal of Chemistry 12, no. 1-2: 8-12. https://doi.org/10.15228/2022.v12.i01-2.p02

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