Screening potential inhibitor from actinomycetes for Dihydrofolate reductase of Staphylococcus aureus – In vitro and in silico studies

Sharmila, Velusamy; Husain, Sameera; Alarifi, Saud; Anand, Mariadoss Arokia Vijaya; Jeyam, Muthusamy

doi:10.1016/j.jksus.2023.102762

Cited by 2 publications

(1 citation statement)

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“…For almost three decades, molecular docking has been a significant method for drug discovery, leading to the identification and development of many new drugs. Docking studies investigating the atomic-level interactions between a small metabolite and a protein, characterize molecules at target protein-binding sites and support the understanding of human diseases at the cellular level 13 , 14 .…”

Section: Introductionmentioning

confidence: 99%

Untargeted metabolomics-based network pharmacology reveals fermented brown rice towards anti-obesity efficacy

Barathikannan,

Chelliah,

Vinothkanna

et al. 2024

npj Sci Food

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There is a substantial rise in the global incidence of obesity. Brown rice contains metabolic substances that can help minimize the prevalence of obesity. This study evaluated nine brown rice varieties using probiotic fermentation using Pediococcus acidilacti MNL5 to enhance bioactive metabolites and their efficacy. Among the nine varieties, FBR-1741 had the highest pancreatic lipase inhibitory efficacy (87.6 ± 1.51%), DPPH assay (358.5 ± 2.80 mg Trolox equiv./100 g, DW), and ABTS assay (362.5 ± 2.32 mg Trolox equiv./100 g, DW). Compared to other fermented brown rice and FBR-1741 varieties, UHPLC-Q-TOF-MS/MS demonstrated significant untargeted metabolite alterations. The 17 most abundant polyphenolic metabolites in the FBR-1741 variety and 132 putative targets were assessed for obesity-related target proteins, and protein interaction networks were constructed using the Cystoscope software. Network pharmacology analysis validated FBR-1741 with active metabolites in the C. elegans obesity-induced model. Administration of FBR-1741 with ferulic acid improved lifespan decreased triglycerides, and suppressed the expression of fat-related genes. The enhanced anti-obesity properties of FBR-1741 suggest its implementation in obesity-functional food.

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Section: Introductionmentioning

confidence: 99%