Inhibition of multidrug resistance property of Candida albicans by natural compounds of parthenium hysterophorus L. An In-Silico approach

Abhishek Kumar Verma; Santosh K Maurya; Avinash Kumar; Dr. Mayadhar Barik; Dr. Vipin Yadav; Bashir Umar; Mudassir Lawal; Zainab  Abdullahi Usman; Maimuna Aliyu Adam; Bello Awal Balarabe

doi:10.22271/phyto.2020.v9.i3a.11480

Inhibition of multidrug resistance property of Candida albicans by natural compounds of parthenium hysterophorus L. An In-Silico approach

Author(s):

Abhishek Kumar Verma, Santosh K Maurya, Avinash Kumar, Dr. Mayadhar Barik, Dr. Vipin Yadav, Bashir Umar, Mudassir Lawal, Zainab Abdullahi Usman, Maimuna Aliyu Adam and Bello Awal Balarabe

Abstract:

Objectives: In this study, we targeted enzymes (Erg11, Erg5, Erg3), transporters (CDR1, CDR2), and cytochrome 450 (CaALK8) involved in MDR of Candida albicans, which caused fungal disease. ATP-binding cassette (ABC) and some other major facilitator superfamilies (MFS) of transporters are responsible for MDR in Candida Albicans.

Material and methods: The compounds present in Parthenium hysterophorus L. were docked against the proteins involved in MDR of Candida Albicans. PyRx-Python prescription 0.8. was used to identify binding affinities of compounds against the proteins.

Result and Discussion: Erg11, Erg5, Erg3, CDR1, CDR2 and CaALK8 proteins docked with β-Sitosterol (-10.6, -9.6, -9.6, -9.6, -9.6, and -8.5) ç-Sitosterol (-9.9, -9.2, -9.3, -9.4, -9.6, and -8.5). Piperine (-10.0, -8.3, -9.3, -8.4, -8.5, and -8.4) Kcal/mol respectively and found to show good hydrophobic interactions.

Conclusion: In this study, we may conclude that compounds isolated from parthenium hysterophorus might be effective against the fungal disease caused by Candida Albicans.

DOI: 10.22271/phyto.2020.v9.i3a.11480

Pages: 55-64 | 2630 Views 614 Downloads

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Journal of Pharmacognosy and Phytochemistry

How to cite this article:

Abhishek Kumar Verma, Santosh K Maurya, Avinash Kumar, Dr. Mayadhar Barik, Dr. Vipin Yadav, Bashir Umar, Mudassir Lawal, Zainab Abdullahi Usman, Maimuna Aliyu Adam and Bello Awal Balarabe. Inhibition of multidrug resistance property of Candida albicans by natural compounds of parthenium hysterophorus L. An In-Silico approach. J Pharmacogn Phytochem 2020;9(3):55-64. DOI: 10.22271/phyto.2020.v9.i3a.11480

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Journal of Pharmacognosy and Phytochemistry

Vol. 9, Issue 3 (2020)

Inhibition of multidrug resistance property of Candida albicans by natural compounds of parthenium hysterophorus L. An In-Silico approach

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