VERMA A K, MAURYA S K, KUMAR A, BARIK D M, YADAV D V, UMAR B, LAWAL M, USMAN Z A, ADAM M A, BALARABE B A
037071 VERMA A K, MAURYA S K, KUMAR A, BARIK D M, YADAV D V, UMAR B, LAWAL M, USMAN Z A, ADAM M A, BALARABE B A (Biochemistry Dep, Mewar Univ, Chittorgarh, Rajasthan) : Inhibition of multidrug resistance property of candida albicans by natural compounds of parthenium hysterophorus L. An in-silico approach. J Pharmac Phytochem 2020, 9(3), 55-64.
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.
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.
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.
In this study, we may conclude that compounds isolated from parthenium hysterophorus might be effective against the fungal disease caused by Candida Albicans.
14 illus, 4 tables, 17 ref