{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,7,12]],"date-time":"2026-07-12T09:40:50Z","timestamp":1783849250292,"version":"3.55.0"},"reference-count":42,"publisher":"Wiley","issue":"10","license":[{"start":{"date-parts":[[2024,5,15]],"date-time":"2024-05-15T00:00:00Z","timestamp":1715731200000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#vor"}],"content-domain":{"domain":["onlinelibrary.wiley.com"],"crossmark-restriction":true},"short-container-title":["J of Cellular Biochemistry"],"published-print":{"date-parts":[[2024,10]]},"abstract":"<jats:title>Abstract<\/jats:title><jats:p>Plants are rich sources of therapeutic compounds that often lack the side effects commonly found in synthetic chemicals. Researchers have effectively synthesized pharmaceuticals from natural sources, taking inspiration from traditional medicine, in their pursuit of modern drugs. This study aims to evaluate the phenolic and flavonoid content of <jats:italic>Solanum virginianum<\/jats:italic> seeds using different solvent extracts, enzymatic assays including 2,2\u2010diphenyl\u20101\u2010picrylhydrazyl\u00a0activity, reducing power, and superoxide activity. Our phytochemical screening identified active compounds, such as phenols, flavonoids, tannins, and alkaloids. The methanol extract notably possesses higher levels of total phenolic and flavonoid content in comparison to the other extracts. The results highlight the superior antioxidant activity of methanol\u2010extracted leaves, demonstrated by their exceptional IC<jats:sub>50<\/jats:sub> values, which surpass the established standard. In this study, molecular docking techniques were used to assess the binding affinity and to predict the binding conformation of the compounds. Quercetin 3\u2010O beta\u2010<jats:sc>d<\/jats:sc>\u2010galactopyranoside displayed a binding energy of \u22128.35\u2009kcal\/mol with several important amino acid residues, PHE222, TRP440, ILE184, LEU192, VAL221, LEU218, SER185, and ALA188. Kaempferol 3\u2010O\u2010beta\u2010<jats:sc>l<\/jats:sc>\u2010glucopyranoside exhibited a binding energy of \u22128.33\u2009kcal\/mol, interacting with specific amino acid residues including ALA 441, VAL318, VAL322, MET307, ILI409, GLY442, and PHE439. The results indicate that the methanol extract has a distinct composition of biologically active constituents compared to the other extracts. Overall, seeds exhibit promise as natural antioxidants and potential agents for combating cancer. This study highlights the significance of utilizing the therapeutic capabilities of natural compounds and enhancing our comprehension of their pharmacological characteristics.<\/jats:p>","DOI":"10.1002\/jcb.30564","type":"journal-article","created":{"date-parts":[[2024,5,15]],"date-time":"2024-05-15T10:34:55Z","timestamp":1715769295000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":13,"title":["Molecular insights into the antioxidant and anticancer properties: A comprehensive analysis through molecular modeling, docking, and dynamics studies"],"prefix":"10.1002","volume":"125","author":[{"given":"Hamza Serina","family":"Banu","sequence":"first","affiliation":[{"name":"Department of Chemistry Vellalar College for Women (Autonomous) Erode Tamilnadu India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Ismail sheriff","family":"Parvin","sequence":"additional","affiliation":[{"name":"Department of Chemistry Vellalar College for Women (Autonomous) Erode Tamilnadu India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Subramanian Deepika","family":"Priyadharshini","sequence":"additional","affiliation":[{"name":"Department of Chemistry Vellalar College for Women (Autonomous) Erode Tamilnadu India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Ekambaram","family":"Gayathiri","sequence":"additional","affiliation":[{"name":"Department of Plant Biology and Plant Biotechnology Guru Nanak College (Autonomous) Chennai India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-5934-4874","authenticated-orcid":false,"given":"Palanisamy","family":"Prakash","sequence":"additional","affiliation":[{"name":"Department of Botany, Periyar University Periyar Palkalai Nagar Salem Tamil Nadu India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Thangaraj","family":"Pratheep","sequence":"additional","affiliation":[{"name":"Department of Biotechnology Rathinam College of Arts and Science Coimbatore Tamil Nadu India"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"311","published-online":{"date-parts":[[2024,5,15]]},"reference":[{"key":"e_1_2_9_2_1","doi-asserted-by":"publisher","DOI":"10.1002\/ptr.5751"},{"key":"e_1_2_9_3_1","doi-asserted-by":"publisher","DOI":"10.3390\/molecules27144490"},{"key":"e_1_2_9_4_1","doi-asserted-by":"publisher","DOI":"10.1038\/s41598-022-16102-9"},{"key":"e_1_2_9_5_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.drudis.2015.01.009"},{"key":"e_1_2_9_6_1","doi-asserted-by":"publisher","DOI":"10.3390\/biology9090252"},{"key":"e_1_2_9_7_1","doi-asserted-by":"publisher","DOI":"10.1155\/2016\/3164734"},{"key":"e_1_2_9_8_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.foodpol.2008.11.002"},{"key":"e_1_2_9_9_1","doi-asserted-by":"publisher","DOI":"10.3390\/microorganisms9102041"},{"key":"e_1_2_9_10_1","doi-asserted-by":"publisher","DOI":"10.1038\/nprot.2007.102"},{"key":"e_1_2_9_11_1","doi-asserted-by":"publisher","DOI":"10.1111\/j.1750-3841.2012.02849.x"},{"key":"e_1_2_9_12_1","doi-asserted-by":"publisher","DOI":"10.1021\/jf00039a005"},{"key":"e_1_2_9_13_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.jams.2012.03.002"},{"key":"e_1_2_9_14_1","doi-asserted-by":"publisher","DOI":"10.1006\/abio.1996.0292"},{"key":"e_1_2_9_15_1","doi-asserted-by":"publisher","DOI":"10.1080\/07391102.2020.1778533"},{"key":"e_1_2_9_16_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.jksus.2021.101679"},{"key":"e_1_2_9_17_1","doi-asserted-by":"publisher","DOI":"10.1080\/07391102.2020.1804457"},{"key":"e_1_2_9_18_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.chemmater.8b04800"},{"key":"e_1_2_9_19_1","doi-asserted-by":"publisher","DOI":"10.3390\/biomedicines9101402"},{"key":"e_1_2_9_20_1","doi-asserted-by":"publisher","DOI":"10.1021\/acschemneuro.0c00489"},{"key":"e_1_2_9_21_1","doi-asserted-by":"publisher","DOI":"10.3390\/antiox10081307"},{"key":"e_1_2_9_22_1","unstructured":"ShanmugapriyaKS SaravanaPS PayalH MohammedS WilliamsB2012. Antioxidant potential of pepper (Piper nigrum Linn.) leaves and its antimicrobial potential against some pathogenic microbes.IJNPR.2012;34(2):1\u20108;570\u2010577."},{"issue":"1","key":"e_1_2_9_23_1","first-page":"31","article-title":"Studies on in vitro antioxidant activities of methanol extract of Mucuna pruriens (Fabaceae) seeds","volume":"13","author":"Rajeshwar Y","year":"2005","journal-title":"Eur Bull Drug Res"},{"key":"e_1_2_9_24_1","doi-asserted-by":"publisher","DOI":"10.1002\/jsfa.3023"},{"key":"e_1_2_9_25_1","doi-asserted-by":"publisher","DOI":"10.3390\/medicines2030251"},{"key":"e_1_2_9_26_1","doi-asserted-by":"publisher","DOI":"10.3390\/antiox9121309"},{"key":"e_1_2_9_27_1","doi-asserted-by":"publisher","DOI":"10.1007\/s12291-014-0446-0"},{"key":"e_1_2_9_28_1","doi-asserted-by":"publisher","DOI":"10.1186\/s12937-016-0186-5"},{"key":"e_1_2_9_29_1","doi-asserted-by":"publisher","DOI":"10.3390\/ijms22073380"},{"issue":"5","key":"e_1_2_9_30_1","first-page":"2317","article-title":"Screening and molecular docking of selected phytochemicals against NS5B polymerase of hepatitis C virus","volume":"33","author":"Mustafa G","year":"2020","journal-title":"Pak J Pharm Sci"},{"key":"e_1_2_9_31_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.0c01301"},{"key":"e_1_2_9_32_1","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.1217042110"},{"key":"e_1_2_9_33_1","doi-asserted-by":"publisher","DOI":"10.1002\/jia2.25489"},{"key":"e_1_2_9_34_1","doi-asserted-by":"publisher","DOI":"10.1007\/s10570-007-9141-0"},{"key":"e_1_2_9_35_1","doi-asserted-by":"publisher","DOI":"10.1126\/science.abb3405"},{"key":"e_1_2_9_36_1","doi-asserted-by":"publisher","DOI":"10.3390\/ijms20184574"},{"key":"e_1_2_9_37_1","doi-asserted-by":"publisher","DOI":"10.1093\/gerona\/gly290"},{"key":"e_1_2_9_38_1","doi-asserted-by":"publisher","DOI":"10.1007\/s00894-024-05868-6"},{"key":"e_1_2_9_39_1","doi-asserted-by":"publisher","DOI":"10.1038\/srep34984"},{"key":"e_1_2_9_40_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.imu.2020.100331"},{"key":"e_1_2_9_41_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.biochi.2005.10.001"},{"key":"e_1_2_9_42_1","doi-asserted-by":"publisher","DOI":"10.1371\/journal.pone.0260853"},{"key":"e_1_2_9_43_1","doi-asserted-by":"publisher","DOI":"10.18433\/J3XC7S"}],"container-title":["Journal of Cellular Biochemistry"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/onlinelibrary.wiley.com\/doi\/pdf\/10.1002\/jcb.30564","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2024,10,12]],"date-time":"2024-10-12T05:02:02Z","timestamp":1728709322000},"score":1,"resource":{"primary":{"URL":"https:\/\/onlinelibrary.wiley.com\/doi\/10.1002\/jcb.30564"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2024,5,15]]},"references-count":42,"journal-issue":{"issue":"10","published-print":{"date-parts":[[2024,10]]}},"alternative-id":["10.1002\/jcb.30564"],"URL":"https:\/\/doi.org\/10.1002\/jcb.30564","archive":["Portico"],"relation":{},"ISSN":["0730-2312","1097-4644"],"issn-type":[{"value":"0730-2312","type":"print"},{"value":"1097-4644","type":"electronic"}],"subject":[],"published":{"date-parts":[[2024,5,15]]},"assertion":[{"value":"2023-12-07","order":0,"name":"received","label":"Received","group":{"name":"publication_history","label":"Publication History"}},{"value":"2024-03-24","order":2,"name":"accepted","label":"Accepted","group":{"name":"publication_history","label":"Publication History"}},{"value":"2024-05-15","order":3,"name":"published","label":"Published","group":{"name":"publication_history","label":"Publication History"}}],"article-number":"e30564"}}