2021
DOI: 10.6026/97320630017767
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Molecular docking and GC-MS data for the inhibition of RAD51 expression by a compound from Clerodendrum inerme L.

Abstract: Screening of potential inhibitors for RAD51 from petroleum ether extract of Clerodendrum inerme L. (C.inerme) is of interest. Presence of phytocompounds was identified using GC-MS analysis. Molecular docking and ADME properties were calculated for potential inhibitors for RAD51. A total of 25 phytocompounds were extracted from the petroleum ether extract of C.inerme. The compound 1,2,4- Trimethyl-3-nitrobicyclo [3.3.1]nonan-9-one shows binding features with the cancer target protein RAD51 similar to the FDA ap… Show more

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Cited by 3 publications
(1 citation statement)
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“…The compound dl-alpha-tocopherol or also known as vitamin E is a lipophilic antioxidant (Zeece, 2020). Meanwhile, benzene-1,2,4-trimethyl is known to have potential antioxidants effects, and also have efficacy against pancreatic cancer (Marikkannu & Ganesan, 2021;Ogunmefun et al 2023). Benzo[h]quinolone has the potential as an antitumor because its cytotoxic effect and is able to inhibit the growth of tumor cells (Jafari et al 2019).…”
Section: Phytochemical Analysismentioning
confidence: 99%
“…The compound dl-alpha-tocopherol or also known as vitamin E is a lipophilic antioxidant (Zeece, 2020). Meanwhile, benzene-1,2,4-trimethyl is known to have potential antioxidants effects, and also have efficacy against pancreatic cancer (Marikkannu & Ganesan, 2021;Ogunmefun et al 2023). Benzo[h]quinolone has the potential as an antitumor because its cytotoxic effect and is able to inhibit the growth of tumor cells (Jafari et al 2019).…”
Section: Phytochemical Analysismentioning
confidence: 99%