Evaluation of Fungal Activity Through In Silico Analysis of Medicinal Plants Against Exophiala Jeanselmei

V Sankara  Vel; A Arunprasath

doi:10.21467/ajgr.9.1.81-95

Authors

V Sankara Vel Department of Botany, PSG College of Arts & Science, Coimbatore, Tamil Nadu, India https://orcid.org/0000-0003-4597-7256
A Arunprasath Department of Botany, PSG College of Arts & Science, Coimbatore, Tamil Nadu, India https://orcid.org/0000-0002-5084-4733

DOI:

https://doi.org/10.21467/ajgr.9.1.81-95

Abstract

Phaeohyphomycosis is a fungal infectious disease commonly called as dermal problem which is caused by dematiaceous fungi, Exophiala jeanselmei. Chitin was the main component of fungal cell and no effective inhibitor was identified still in chitin synthase I. The protein chitin synthase I play a major role in drug metabolism as well as signal processing molecule and therefore have been targeted in the present study. The medicinal plants being a solution for several human ailments, also act as a reservoir for secondary metabolites, has taken its credit as a cure from our ancient times. The biological activity of the Myricetin was analysed using the pass online tool. The value of Probability to be active (Pa) = 0.241 Probability to be inactive (Pi) = 0.021. The several compounds retrieved from the plants Acalypha indica, Achyranthus aspera, Brassica niger, Cassia auriculata, Cleome gynandra, Clitoria ternatea, Ipomoea hederaceae, Leucas aspera, Mimosa pudica, Phyllanthus niruri, Ocimum basilicum, Ocimum sanctum, Tridax procumbens, Vitex negundo and Waltheria indica were analyzed for its possible significant interaction with the target protein using molecular docking studies. The compound Myricetin had Binding energy of -7.32 Kcal/mol and formed hydrogen bonds with the residue HIS 29 showing the bond length of 1.8 Å and residue THR 3 showing the bond length of 1.9 Å. The future perspective of the study is to determine the stability of the protein-compound interaction through docking studies.

Keywords:

Phaeohyphomycosis, medicinal plants, molecular docking

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