IN SILICO APPROACH TO IDENTIFY POTENTIAL ANTI-PSORIATIC COMPOUNDS FROM CURCUMA LONGA

SAJAL MANDAL; SHUBHAM WANARASE

doi:10.22159/ijms.2023.v11i4.47979

Authors

SAJAL MANDAL Department of Bioinformatics, BioNome, Bengaluru, Karnataka, India.
SHUBHAM WANARASE Department of Bioinformatics, BioNome, Bengaluru, Karnataka, India.

DOI:

https://doi.org/10.22159/ijms.2023.v11i4.47979

Keywords:

Psoriasis, IFNY protein, keratinocytes, Inflammation, Molecular docking, Curcuma longa, Phytocompounds

Abstract

Objectives: Psoriasis is a type of skin disease which is accompanied with over production of keratinocytes, itchiness, and scaly skin. In this study, an attempt was made to recognize naturally occurring phytocompounds from the plant Curcuma longa which can be helpful in treating psoriasis using molecular docking techniques.

Methods: The protein associated to the mechanism of psoriasis was obtained from the protein data bank database, along with retrieving the phytocompounds from C. longa. The phytocompounds were docked with the protein using PyRx docking. Further, analysis was done using Swiss-absorption, distribution, metabolism, and excretion (ADME), ADME toxicity (ADMET) LAB 2.0, and ProTox webservers to evaluate the credibility of the best docked compounds.

Results: Molecular docking study shows that two compounds, piperine and cyclocurcumin, have the potential to inhibit the protein interferon-gamma protein (IFNY), hindering the mechanism of psoriasis. Drug likeliness and ADMET properties also suggest that these two compounds exhibit potential drug like properties.

Conclusion: The present study suggests that piperine and cyclocurcumin have significant binding affinity and they could inhibit the protein IFNY and also helps to manage the therapeutic strategies against psoriasis.

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