An article UHPLC/GC-TOF-MS metabolomics, MTT assay, and molecular docking studies reveal physostigmine as a new anticancer agent from the ethyl acetate and butanol fractions ofKigelia africana(Lam.) Benth. fruit extracts WOS:000571204300001 published article about DNA TOPOISOMERASE-II; CELL-CYCLE ARREST; KIGELIA-AFRICANA; IN-VITRO; CANCER; PINNATA; PLANTS; 2-METHOXY-4-VINYLPHENOL; ANTIBACTERIAL; APOPTOSIS in [Fagbohun, Oladapo F.] First Syst Univ, Dept Biomed Engn, Ibadan, Oyo State, Nigeria; [Olawoye, Babatunde] First Syst Univ, Dept Food Sci & Technol, Ibadan, Nigeria; [Ademakinwa, Adedeji N.] Elizade Univ, Dept Phys & Chem Sci, Ilara Mokin, Nigeria; [Oriyomi, Olumayowa V.] Obafemi Awolowo Univ, Inst Ecol, Ife, Nigeria; [Fagbohun, Oladoyin S.] Obafemi Awolowo Univ, Dept Chem Engn, Ife, Nigeria; [Fadare, Olatomide A.] Obafemi Awolowo Univ, Dept Chem, Organ Chem Res Lab, Ife, Nigeria; [Msagati, Titus A. M.] Univ South Africa UNISA, Coll Sci Engn & Technol, Nanotechnol & Water Sustainabil Res Unit, Johannesburg, South Africa in 2021, Cited 87. The Name is Diphenyl oxide. Through research, I have a further understanding and discovery of 101-84-8. HPLC of Formula: C12H10O
Kigelia africanaplant is widely used as a herbal remedy in preventing the onset and the treatment of cancer-related infections. With the increase in the research interest of the plant, the specific chemical compound or metabolite that confers its anticancer properties has not been adequately investigated. The ethyl acetate and butanol fractions of the fruit extracts were evaluated by 2-(4,5-dimethylthiazol-2-yl)-3,5-diphenyl-2H-tetrazolium bromide assay against four different cell lines, with the ethyl acetate fraction having inhibition concentration values of 0.53 and 0.42 mu M against Hep G2 and HeLa cells, respectively. More than 235 phytoconstituents were profiled using UHPLC-TOF-MS, while more than 15 chemical compounds were identified using GC-MS from the fractions. Molecular docking studies revealed that physostigmine, fluazifop, dexamethasone, sulfisomidine, and desmethylmirtazapine could favorably bind at higher binding energies of -8.3, -8.6, -8.2, and -8.1 kcal/mol, respectively, better than camptothecin with a binding energy of -7.9 kcal/mol. The results of this study showed that physostigmine interacted well with topoisomerase II alpha and had a high score of pharmacokinetic prediction using absorption, distribution, metabolism, excretion, and toxicity profiles, thereby suggesting that drug design using physostigmine as a base structure could serve as an alternative against the toxic side effects of doxorubicin and camptothecin.
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Ether – Wikipedia,
,Ether | (C2H5)2O – PubChem