{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,8,15]],"date-time":"2026-08-15T04:07:00Z","timestamp":1786766820904,"version":"build-2736575974"},"reference-count":115,"publisher":"MDPI AG","issue":"7","license":[{"start":{"date-parts":[[2023,3,27]],"date-time":"2023-03-27T00:00:00Z","timestamp":1679875200000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"name":"Deanship of Scientific Research (DSR) at King Abdulaziz University, Jeddah, Saudi Arabia","award":["RG-13-166-42"],"award-info":[{"award-number":["RG-13-166-42"]}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Molecules"],"abstract":"<jats:p>An evaluation of the expression and predictive significance of the MDM2 gene in brain lower-grade glioma (LGG) cancer was carried out using onco-informatics pipelines. Several transcriptome servers were used to measure the differential expression of the targeted MDM2 gene and search mutations and copy number variations. GENT2, Gene Expression Profiling Interactive Analysis, Onco-Lnc, and PrognoScan were used to figure out the survival rate of LGG cancer patients. The protein\u2013protein interaction networks between MDM2 gene and its co-expressed genes were constructed by Gene-MANIA tool. Identified bioactive phytochemicals were evaluated through molecular docking using Schr\u00f6dinger Suite Software, with the MDM2 (PDB ID: 1RV1) target. Protein\u2013ligand interactions were observed with key residues of the macromolecular target. A molecular dynamics simulation of the novel bioactive compounds with the targeted protein was performed. Phytochemicals targeting MDM2 protein, such as Taxifolin and (-)-Epicatechin, have been shown with more highly stable results as compared to the control drug, and hence, concluded that phytochemicals with bioactive potential might be alternative therapeutic options for the management of LGG patients. Our once informatics-based designed pipeline has indicated that the MDM2 gene may have been a predictive biomarker for LGG cancer and selected phytochemicals possessed outstanding interaction results within the macromolecular target\u2019s active site after utilizing in silico approaches. In vitro and in vivo experiments are recommended to confirm these outcomes.<\/jats:p>","DOI":"10.3390\/molecules28072977","type":"journal-article","created":{"date-parts":[[2023,3,27]],"date-time":"2023-03-27T06:46:19Z","timestamp":1679899579000},"page":"2977","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":19,"title":["Study of MDM2 as Prognostic Biomarker in Brain-LGG Cancer and Bioactive Phytochemicals Inhibit the p53-MDM2 Pathway: A Computational Drug Development Approach"],"prefix":"10.3390","volume":"28","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-9766-756X","authenticated-orcid":false,"given":"Partha","family":"Biswas","sequence":"first","affiliation":[{"name":"Department of Genetic Engineering and Biotechnology, Faculty of Biological Science and Technology, Jashore University of Science and Technology, Jashore 7408, Bangladesh"},{"name":"Laboratory of Pharmaceutical Biotechnology and Bioinformatics, Department of Genetic Engineering and Biotechnology, Jashore University of Science and Technology, Jashore 7408, Bangladesh"},{"name":"ABEx Bio-Research Center, East Azampur, Dhaka 1230, Bangladesh"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Shabana","family":"Bibi","sequence":"additional","affiliation":[{"name":"Department of Biosciences, Shifa Tameer-e-Millat University, Islamabad 41000, Pakistan"},{"name":"Yunnan Herbal Laboratory, College of Ecology and Environmental Sciences, Yunnan University, Kunming 650091, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Qudsia","family":"Yousafi","sequence":"additional","affiliation":[{"name":"Department of Biosciences, Sahiwal Campus, COMSATS University Islamabad, Sahiwal 57000, Pakistan"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Asim","family":"Mehmood","sequence":"additional","affiliation":[{"name":"Department of Biosciences, Sahiwal Campus, COMSATS University Islamabad, Sahiwal 57000, Pakistan"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Shahzad","family":"Saleem","sequence":"additional","affiliation":[{"name":"Department of Biosciences, Sahiwal Campus, COMSATS University Islamabad, Sahiwal 57000, Pakistan"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-4738-1619","authenticated-orcid":false,"given":"Awais","family":"Ihsan","sequence":"additional","affiliation":[{"name":"Department of Biosciences, Sahiwal Campus, COMSATS University Islamabad, Sahiwal 57000, Pakistan"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-3037-5113","authenticated-orcid":false,"given":"Dipta","family":"Dey","sequence":"additional","affiliation":[{"name":"Biochemistry and Molecular Biology Department, Life Science Faculty, Bangabandhu Sheikh Mujibur Rahman Science and Technology University, Gopalgonj 8100, Bangladesh"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-5339-6665","authenticated-orcid":false,"given":"Md. Nazmul","family":"Hasan Zilani","sequence":"additional","affiliation":[{"name":"Department of Pharmacy, Faculty of Biological Science and Technology, Jashore University of Science and Technology, Jashore 7408, Bangladesh"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-9122-1129","authenticated-orcid":false,"given":"Md. Nazmul","family":"Hasan","sequence":"additional","affiliation":[{"name":"Laboratory of Pharmaceutical Biotechnology and Bioinformatics, Department of Genetic Engineering and Biotechnology, Jashore University of Science and Technology, Jashore 7408, Bangladesh"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Rasha","family":"Saleem","sequence":"additional","affiliation":[{"name":"Department of Laboratory Medicine, Faculty of Applied Medical Sciences, Albaha University, Al Bahah 65431, Saudi Arabia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Aeshah A.","family":"Awaji","sequence":"additional","affiliation":[{"name":"Department of Biology, Faculty of Science, University College of Taymaa, University of Tabuk, Tabuk 71491, Saudi Arabia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-6094-5570","authenticated-orcid":false,"given":"Usama A.","family":"Fahmy","sequence":"additional","affiliation":[{"name":"Department of Pharmaceutics, Faculty of Pharmacy, King Abdulaziz University, Jeddah 21589, Saudi Arabia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-4341-2713","authenticated-orcid":false,"given":"Mohamed M.","family":"Abdel-Daim","sequence":"additional","affiliation":[{"name":"Department of Pharmaceutical Sciences, Pharmacy Program, Batterjee Medical College, P.O. 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