Inhibition of PTP1B by isosinensetin, a polymethoxylated flavone isolated from trifoliate orange peel: kinetic studies, molecular docking, and molecular dynamics simulation

Trang, Nguyen Minh; Vinh, Le Ba; Thanh, Nguyen Van; Phong, Nguyen Viet

doi:10.1007/s11696-022-02560-y

Cited by 4 publications

(1 citation statement)

References 31 publications

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“…This, in turn, led to the downregulation of ISG15 and ISG15 conjugates, thereby reducing the expression of CDK1/2 [103]. Molecular dynamics simulations, a leading research tool for discovering and developing targeted protein inhibitors [104], indicated that a lung cancer-associated mutation in the gene of epidermal growth factor receptor (EGFR), resulting in a substitution of Leu 858 to Arg (L858R), can be effectively treated with medicines that bind to EFGR, including luteolin-7-glucoside (72) and epicatechin gallate from V. cinerea because of their superior inhibitory qualities [105]. The stability of epicatechin gallate and 72 with EGFR-L858R were analyzed in explicit water conditions employing a 60 ns molecular dynamics trajectory.…”

Section: Antitumor Activitiesmentioning

confidence: 99%

Traditional Uses, Phytochemistry, and Pharmacological Activities of Vernonia cinerea (L.) Less.: An Updated Review

Trang,

Vinh,

Phong

et al. 2024

Nutrients

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Vernonia cinerea (L.) Less. is a perennial herbaceous plant found mainly in tropical areas, particularly in Southeast Asia, South America, and India. Various parts of V. cinerea have traditionally been used in folk medicine to treat several diseases, such as malaria, fever, and liver diseases. V. cinerea has so far yielded about 92 secondary metabolites. The majority of these are sesquiterpene lactones, but triterpenes, flavonoids, steroids, phenolics, and other compounds are present as well. V. cinerea crude extracts reportedly exhibit anti-inflammatory, antiprotozoal, antidiabetic, anticancer, antimicrobial, antioxidant, and renoprotective activities. This study aims to provide the latest up-to-date information on the botanical characterization, distribution, traditional uses, phytochemistry, and pharmacological activity of V. cinerea. Information on V. cinerea was thoroughly reviewed. The literature published between 1950 and 2024 was compiled through online bibliographic databases, including SciFinder, Web of Science, Google Scholar, PubMed, ScienceDirect, Springer Link, Wiley, and the MDPI online library. The keywords used for the literature search included Vernonia cinerea (L.) Less. and the synonyms Cyanthillium cinereum (L.) H.Rob., Conyza cinerea L., and various others.

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Section: Antitumor Activitiesmentioning

confidence: 99%