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Bioimpacts. 2020;10(4): 227-234. doi: 10.34172/bi.2020.29
PMID: 32983938        PMCID: PMC7502905

Original Research

Flavones scaffold of Chromolaena odorata as a potential xanthine oxidase inhibitor: Induced Fit Docking and ADME studies

Babatomiwa Kikiowo 1,2 * ORCID, Adewale Joseph Ogunleye 1, Olumide Kayode Inyang 1,2, Niyi Samuel Adelakun 1,2, Olaposi Idowu Omotuyi 1,2, Damilohun Samuel Metibemu 1,2, Temitope Israel David 1,2, Oluwatoyin Olajide Oludoyi 1,2, Taiwo Tolulope Ijatuyi 2

Cited by CrossRef: 15

1- Rao S, Shetty N. Structure-based screening of natural product libraries in search of potential antiviral drug-leads as first-line treatment to COVID-19 infection. Microbial Pathogenesis. 2022;165:105497 [Crossref]
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3- Sunder Raj D, Kesavan D, Kottaisamy C, Kumar V, Hopper W, Sankaran U. Atomic level and structural understanding of natural ligands inhibiting Helicobacter pylori peptide deformylase through ligand and receptor based screening, SIFT, molecular dynamics and DFT – a structural computational approach. Journal of Biomolecular Structure and Dynamics. 2023;41(8):3440 [Crossref]
4- Wang X, Dong L, Dong Y, Bao Z, Lin S. Corn Silk Flavonoids Ameliorate Hyperuricemia via PI3K/AKT/NF-κB Pathway. J Agric Food Chem. 2023;71(24):9429 [Crossref]
5- Kikiowo B, Ogunleye J, Iwaloye O, Ijatuyi T. Therapeutic potential of Chromolaena odorata phyto-constituents against human pancreatic α-amylase. Journal of Biomolecular Structure and Dynamics. 2022;40(4):1801 [Crossref]
6- TJITRARESMI A, WICAKSONO I, WICAKSONO I, HENDRIANI R, SUSILAWATI Y, NOVIANDRI I, WULANDARI E, IVAN N. SCREENING FOR ANTI-HYPERURICEMIA POTENTIAL OF SOME INDONESIAN MEDICINAL PLANTS THROUGH XANTHINE OXIDASE INHIBITION IN VITRO ASSAY. Int J App Pharm. 2023;:113 [Crossref]
7- Ipinloju N, Ibrahim A, da Costa R, Adigun T, Olubode S, Abayomi K, Aiyelabegan A, Esan T, Muhammad S, Oyeneyin O. Quantum evaluation and therapeutic activity of (E)-N-(4-methoxyphenyl)-2-(4-(3-oxo-3-phenylprop-1-en-1-yl) phenoxy)acetamide and its modified derivatives against EGFR and VEGFR-2 in the treatment of triple-negative cancer via in silico approach. J Mol Model. 2023;29(5) [Crossref]
8- Balogun T, Ipinloju N, Abdullateef O, Moses S, Omoboyowa D, James A, Saibu O, Akinyemi W, Oni E. Computational Evaluation of Bioactive Compounds from Colocasia affinis Schott as a Novel EGFR Inhibitor for Cancer Treatment. Cancer Inform. 2021;20 [Crossref]
9- Alade A, Ahmed S, Mujwar S, Kikiowo B, Akinnusi P, Olubode S, Olufemi O, Ohilebo A. Identification of levomenthol derivatives as potential dipeptidyl peptidase-4 inhibitors: a comparative study with gliptins. Journal of Biomolecular Structure and Dynamics. 2024;42(8):4029 [Crossref]
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11- Onifade O, Akinloye O, Dosumu O, Shotuyo A. In silico and in vivo anti-angiogenic validation on ethanolic extract of Curcuma longa and curcumin compound in hepatocellular carcinoma through mitogen activated protein kinase expression in male and female wistar rats. Food and Chemical Toxicology. 2023;182:114096 [Crossref]
12- Olawale F, Iwaloye O, Folorunso I, Shityakov S. In silico High-Throughput Screening of ZINC Database of Natural Compounds to Identify Novel Histone Deacetylase Inhibitors. J Comput Biophys Chem. 2023;22(01):11 [Crossref]
13- Gupta S, Banavath H, Tejavath K. Pharmacoinformatic screening of phytoconstituent and evaluation of its anti-PDAC effect using in vitro studies . Journal of Biomolecular Structure and Dynamics. 2023;41(20):10627 [Crossref]
14- Bouali N, Ahmad I, Patel H, Alhejaili E, Hamadou W, Badraoui R, Hadj Lajimi R, Alreshidi M, Siddiqui A, Adnan M, Abdulhakeem M, Bazaid A, Patel M, Saeed M, Snoussi M, Noumi E. GC–MS screening of the phytochemical composition of Ziziphus honey: ADME properties and in vitro / in silico study of its antimicrobial activity . Journal of Biomolecular Structure and Dynamics. 2024;42(3):1368 [Crossref]
15- Owoloye A, Olubode S, Ogunleye A, Idowu E, Oyebola K. Computational identification of potential modulators of heme-regulated inhibitor (HRI) for pharmacological intervention against sickle cell disease. Journal of Biomolecular Structure and Dynamics. 2024;:1 [Crossref]
16- Gogoi R, Sarma N, Begum T, Pandey S, Lal M. North-East Indian Chromolaena odorata (L. King Robinson) Aerial Part Essential Oil Chemical Composition, Pharmacological Activities - Neurodegenerative Inhibitory and Toxicity Study. Journal of Essential Oil Bearing Plants. 2020;23(6):1173 [Crossref]
17- Dash S, Rathi E, Kumar A, Chawla K, Kini S. Identification of DprE1 inhibitors for tuberculosis through integrated in-silico approaches. Sci Rep. 2024;14(1) [Crossref]
18- Ibraheim M, Maher I, Khater I. In Silico Repurposing of a Novel Inhibitor (drug) of EGFR and VEGFR-2 Kinases of Cancer by Pharmacokinetics, Toxicity, Molecular Docking, and Molecular Dynamics Simulation. Appl Biochem Biotechnol. 2024; [Crossref]

As a peer-reviewed international open-access journal, BioImpacts publishes articles on basic and translational aspects of pharmaceutical and biomedical sciences. 
Acceptance rate: 24% 
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