Silico Analyses of Antioxidant-Related Compounds on Selected Medicinal Plant Cordia macleodii Enzyme-Based Targets

Main Article Content

Mohammad Nadeem Khan
Jennifer Qureshi
Hena Kaushar
Nitesh Pusham

Abstract

Silico Analyses of Antioxidant-Related Compounds on Selected Medicinal Plant Cordia macleodii Enzyme-Based Targets

A great number of medicinal plants phytochemicals are reported as good anti-oxidant from several studies. However, their modes of action are still not known properly. The lack of molecular studies could be considered an impediment for studies seeking to improve anti-oxidant-based drug design. The present computational study allows us to make important observations about the molecular details of the binding modes of a set of anti-oxidant against Cordia macleodii secondary metabolites drug-enzyme targets Super oxide dismutase, Catalase, Glutathione peroxidase. Through molecular docking it was found that two Cordia phytocompounds are promising leads for the anti-oxidant enzymes binding with active metal site domain, and exhibited better affinity towards active site pocket binding. In addition, the affinity values were collected by principal component analysis and drug-likeness properties were checked to identify the strongest-docking phytochemicals. The results are an excellent starting point for future studies of structural optimization of this kind of compounds.

Keywords:
Anti-oxidant enzymes, In-Silico, molecular docking, Phytocompounds

Article Details

How to Cite
Nadeem Khan, M., Qureshi, J., Kaushar, H., & Pusham, N. (2018). Silico Analyses of Antioxidant-Related Compounds on Selected Medicinal Plant Cordia macleodii Enzyme-Based Targets. Asian Journal of Biotechnology and Bioresource Technology, 4(1), 1-9. https://doi.org/10.9734/AJB2T/2018/41131
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Original Research Article