Unravelling the natural dual-target inhibiting potential of cucurbit bioactive compounds for the management of cucumber mosaic virus (CMV) through computational approaches

The trehalase enzyme of Rhizoctonia solani is the target site for validamycin, a common fungicide used for controlling the sheath blight disease of rice. However, rampant use of validamycin has resulted in emergence of fungicide resistance necessitating the search for newer fungicide molecules. Thus, molecular docking analysis was carried out to screen phytogenic compounds with high trehalase inhibitory effect. The 3-dimensional structure of the protein was generated by the Swissmodel using the sequence information available in UniProt database (entry no. L8WUM1). Eighteen compounds from plants previously reported to have antagonistic effect against R. solani were selected for the study. Molecular docking carried out by Autodock 4.2 showed that the compounds, Cycloartenol (-8.64), β-Sitosterol (-8.58), Nimbiol (-8.29), Nimbandiol (-7.32), Menthone (-7.31), Nimbin (-7.22) had high binding energies whereas validamycin had a binding energy of -4.08. Among these, Nimbiol, Nimbandiol, Menthone, Nimbin were obeying all the Tice rule criteria and appeared to be good fungicide candidates against R. solani.

show abstract

In silico screening of phytogenic compounds against Rhizoctonia solani trehalase enzyme

Mahanty

Lenka

Adak

et al. 2022

J Proteins Proteom

View full text Add to dashboard Cite

show abstract

scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.

Contact Info

hi@scite.ai

10624 S. Eastern Ave., Ste. A-614

Henderson, NV 89052, USA

Blog Terms and Conditions API Terms Privacy Policy Contact Cookie Preferences Do Not Sell or Share My Personal Information

Made with 💙 for researchers

Part of the Research Solutions Family.

Unravelling the natural dual-target inhibiting potential of cucurbit bioactive compounds for the management of cucumber mosaic virus (CMV) through computational approaches

Cited by 1 publication

References 64 publications

In silico screening of phytogenic compounds against Rhizoctonia solani trehalase enzyme

In silico screening of phytogenic compounds against Rhizoctonia solani trehalase enzyme

Contact Info

Product

Resources

About