{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,9]],"date-time":"2026-09-09T18:09:17Z","timestamp":1788977357863,"version":"build-2803163510"},"reference-count":62,"publisher":"Public Library of Science (PLoS)","issue":"9","license":[{"start":{"date-parts":[[2026,9,9]],"date-time":"2026-09-09T00:00:00Z","timestamp":1788912000000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"content-domain":{"domain":["www.plosone.org"],"crossmark-restriction":false},"short-container-title":["PLoS One"],"abstract":"<jats:p>\n                    Endophytic fungi represent a valuable source of bioactive compounds with diverse pharmacological properties. In this study, we explored the antioxidant potential of secondary metabolites produced by\n                    <jats:italic>Neopestalotiopsis clavispora (N.clavispora)<\/jats:italic>\n                    , an endophytic fungus isolated from\n                    <jats:italic>Oroxylum indicum Kurz stem bark. N.clavispora<\/jats:italic>\n                    extract was subjected to UPLC-MS analysis to profile its bioactive components, and its antioxidant capacity was assessed using the DPPH (1,1-diphenyl-2-picrylhydrazyl) free radical scavenging assay. For\n                    <jats:italic>in vivo<\/jats:italic>\n                    evaluation, Swiss albino mice were administered with 100 mg\/kg bodyweight dose of extract for five consecutive days, followed by exposure to 2 Gy of gamma radiation at a dose rate of 3.58 Gy\/min. Subsequent measurements of superoxide dismutase (SOD) activity in liver homogenate were conducted to assess antioxidant enzyme response. The data obtained from UPLC-MS, showed, cimicifoetiside B (identified by UNIFI database matching; 44% relative abundance) as the predominant metabolite.\n                    <jats:italic>N. clavispora<\/jats:italic>\n                    extract showed moderate DPPH scavenging (IC\u2085\u2080 82.86 \u03bcg\/mL vs ascorbic acid 19.01 \u03bcg\/mL). Molecular docking using cimicifoetiside B against the antioxidant enzyme Superoxide dismutase (SOD), revealing a docking score of \u22124.96 kcal\/mol with 1 hydrogen bond. Molecular dynamics simulations confirmed the interaction with a binding energy of \u201312.36\u2009\u00b1\u200902.32 kcal\/mol. Binding affinities and molecular interaction profiles indicated possible association with SOD.\n                    <jats:italic>In vivo<\/jats:italic>\n                    ,\n                    <jats:italic>N.clavispora<\/jats:italic>\n                    extract at 100 mg\/kg body weight\/day yielded SOD activity of 1.98\u2009\u00b1\u20090.38 vs. radiation group 0.78\u2009\u00b1\u20090.13. These results suggest\n                    <jats:italic>N.clavispora<\/jats:italic>\n                    may have antioxidant related activity under the conditions tested, supporting further\n                    <jats:italic>in vitro<\/jats:italic>\n                    and\n                    <jats:italic>in vivo<\/jats:italic>\n                    studies.\n                  <\/jats:p>","DOI":"10.1371\/journal.pone.0357595","type":"journal-article","created":{"date-parts":[[2026,9,9]],"date-time":"2026-09-09T17:37:25Z","timestamp":1788975445000},"page":"e0357595","update-policy":"https:\/\/doi.org\/10.1371\/journal.pone.corrections_policy","source":"Crossref","is-referenced-by-count":0,"title":["UPLC-MS metabolite profiling and antioxidant efficacy of Neopestalotiopsisclavispora isolated from Oroxylum indicum (L.) Kurz Stem Bark"],"prefix":"10.1371","volume":"21","author":[{"given":"Sushma","family":"Swaroopa","sequence":"first","affiliation":[{"name":"Nitte (Deemed to be University), KS Hegde Medical Academy (KSHEMA), Central Research Laboratory","place":["Mangaluru, Karnataka, India"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Amshumala Bhoothakallu","family":"Lolajaksha","sequence":"additional","affiliation":[{"name":"Nitte (Deemed to be University), KS Hegde Medical Academy (KSHEMA), Central Research Laboratory","place":["Mangaluru, Karnataka, India"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Tamizh Selvan","family":"Gnanasekaran","sequence":"additional","affiliation":[{"name":"Nitte (Deemed to be University), KS Hegde Medical Academy (KSHEMA), Central Research Laboratory","place":["Mangaluru, Karnataka, India"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Pavan","family":"Gollapalli","sequence":"additional","affiliation":[{"name":"Nitte (Deemed to be University), Nitte University Centre for Science Education and Research (NUCSER), Paneer Campus","place":["Mangaluru, Karnataka, India"],"department":["Department of Bioinformatics and Biostatistics"]},{"name":"Nitte (Deemed to be University), KS Hegde Medical Academy (KSHEMA), Center for Bioinformatics","place":["Mangaluru, Karnataka, India"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Vishakh Radhakrishna","family":"Kedilaya","sequence":"additional","affiliation":[{"name":"Nitte (Deemed to be University), KS Hegde Medical Academy (KSHEMA), Central Research Laboratory","place":["Mangaluru, Karnataka, India"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-1604-2120","authenticated-orcid":true,"given":"Sharmila","family":"Kameyanda 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Biol"},{"key":"pone.0357595.ref003","doi-asserted-by":"crossref","first-page":"5","DOI":"10.1016\/j.canlet.2012.04.005","article-title":"Oxidatively generated complex DNA damage: tandem and clustered lesions","volume":"327","author":"J Cadet","year":"2012","journal-title":"Cancer Lett"},{"key":"pone.0357595.ref004","doi-asserted-by":"crossref","first-page":"694","DOI":"10.3389\/fphys.2020.00694","article-title":"Lifestyle, oxidative stress, and antioxidants: back and forth in the pathophysiology of chronic diseases","volume":"11","author":"M Sharifi-Rad","year":"2020","journal-title":"Front Physiol"},{"issue":"1","key":"pone.0357595.ref005","doi-asserted-by":"crossref","first-page":"117","DOI":"10.3390\/microorganisms11010117","article-title":"Antioxidant, cytotoxic, and DNA damage protection activities of endophytic fungus pestalotiopsis neglecta isolated from ziziphus spina-christi medicinal plant","volume":"11","author":"HI Almustafa","year":"2023","journal-title":"Microorganisms"},{"key":"pone.0357595.ref006","doi-asserted-by":"crossref","first-page":"134","DOI":"10.1016\/j.phytol.2022.10.008","article-title":"Chemical constituents from Neopestalotiopsis clavispora culture medium with estrogenic effects in MCF-7 cells","volume":"52","author":"H Kwon","year":"2022","journal-title":"Phytochem Lett"},{"issue":"3","key":"pone.0357595.ref007","doi-asserted-by":"crossref","first-page":"190","DOI":"10.3390\/horticulturae8030190","article-title":"First isolation and identification of neopestalotiopsis clavispora causing postharvest rot of rosa sterilis and its control with methyl jasmonate and calcium chloride","volume":"8","author":"T Shi","year":"2022","journal-title":"Horticulturae"},{"key":"pone.0357595.ref008","doi-asserted-by":"crossref","first-page":"110145","DOI":"10.1016\/j.foodres.2021.110145","article-title":"Role of partial dehydration in a naturally ventilated room on the mycobiota, ochratoxins, 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Authorea Inc."},{"key":"pone.0357595.ref022","doi-asserted-by":"crossref","first-page":"87","DOI":"10.3389\/fmolb.2017.00087","article-title":"Recent developments and applications of the MMPBSA method","volume":"4","author":"C Wang","year":"2018","journal-title":"Front Mol Biosci"},{"issue":"10","key":"pone.0357595.ref023","doi-asserted-by":"crossref","first-page":"6281","DOI":"10.1021\/acs.jctc.1c00645","article-title":"gmx_MMPBSA: a new tool to perform end-state free energy calculations with GROMACS","volume":"17","author":"MS Vald\u00e9s-Tresanco","year":"2021","journal-title":"J Chem Theory Comput"},{"issue":"2","key":"pone.0357595.ref024","doi-asserted-by":"crossref","first-page":"148","DOI":"10.1007\/s10930-020-09953-6","article-title":"Structure-based identification of potential drugs against FmtA of Staphylococcus aureus: virtual screening, molecular dynamics, MM-GBSA, and QM\/MM","volume":"40","author":"V Dalal","year":"2021","journal-title":"Protein 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cancer","volume":"42","author":"P More-Adate","year":"2024","journal-title":"J Biomol Struct Dyn"},{"key":"pone.0357595.ref028","volume-title":"Acute oral toxicity - up-and-down procedure","year":"2001"},{"issue":"12","key":"pone.0357595.ref029","doi-asserted-by":"crossref","DOI":"10.1371\/journal.pone.0338588","article-title":"High-protein diets reduce plasma pro-inflammatory cytokines following lipopolysaccharide challenge in Swiss Albino mice","volume":"20","author":"HW Kinyi","year":"2025","journal-title":"PLoS One"},{"issue":"1","key":"pone.0357595.ref030","doi-asserted-by":"crossref","first-page":"276","DOI":"10.1016\/0003-2697(71)90370-8","article-title":"Superoxide dismutase: improved assays and an assay applicable to acrylamide gels","volume":"44","author":"C Beauchamp","year":"1971","journal-title":"Anal Biochem"},{"key":"pone.0357595.ref031","article-title":"Chikusetsusaponin Iva induces apoptosis and inhibits proliferation in endometrial cancer via promoting reactive oxygen species (ROS) production","year":"2023","journal-title":"Euro J Gynaecol Oncol"},{"issue":"11","key":"pone.0357595.ref032","doi-asserted-by":"crossref","first-page":"2015","DOI":"10.3390\/antiox12112015","article-title":"Ginger bioactives: a comprehensive review of health benefits and potential food applications","volume":"12","author":"MN Shaukat","year":"2023","journal-title":"Antioxidants (Basel)"},{"issue":"2","key":"pone.0357595.ref033","doi-asserted-by":"crossref","first-page":"779","DOI":"10.3892\/or.2015.4405","article-title":"10-Gingerol inhibits proliferation and invasion of MDA-MB-231 breast cancer cells through suppression of Akt and p38MAPK activity","volume":"35","author":"J-H Joo","year":"2016","journal-title":"Oncol Rep"},{"key":"pone.0357595.ref034","doi-asserted-by":"crossref","first-page":"1446","DOI":"10.1002\/ptr.2473","article-title":"Antibacterial activity of [10]\u2010gingerol and [12]\u2010gingerol isolated from ginger rhizome against periodontal bacteria","volume":"22","author":"M Park","year":"2008","journal-title":"Phytother Res"},{"issue":"2","key":"pone.0357595.ref035","doi-asserted-by":"crossref","first-page":"61","DOI":"10.1007\/s13659-015-0053-7","article-title":"Cycloartane glycosides from the roots of Cimicifuga foetida with wnt signaling pathway inhibitory activity","volume":"5","author":"D-F Zhu","year":"2015","journal-title":"Nat Prod Bioprospect"},{"key":"pone.0357595.ref036","first-page":"3","article-title":"Cimicifoetisides A and B, two cytotoxic cycloartane triterpenoid glycosides from the rhizomes of Cimicifuga foetida, inhibit proliferation of cancer cells","volume":"3","author":"L-R Sun","year":"2007","journal-title":"Beilstein J Org Chem"},{"issue":"19","key":"pone.0357595.ref037","doi-asserted-by":"crossref","first-page":"3254","DOI":"10.3390\/nu16193254","article-title":"Methanolic extract of Cimicifuga foetida induces G1 cell cycle arrest and apoptosis and inhibits metastasis of glioma cells","volume":"16","author":"C-H Chang","year":"2024","journal-title":"Nutrients"},{"issue":"3","key":"pone.0357595.ref038","doi-asserted-by":"crossref","first-page":"362","DOI":"10.4048\/jbc.2019.22.e34","article-title":"Anticancer activity of tubulosine through suppression of interleukin-6-induced janus kinase 2\/signal transducer and activation of transcription 3 signaling","volume":"22","author":"B-H Kim","year":"2019","journal-title":"J Breast Cancer"},{"issue":"13","key":"pone.0357595.ref039","doi-asserted-by":"crossref","first-page":"7427","DOI":"10.1111\/jcmm.15362","article-title":"Tubulosine selectively inhibits JAK3 signalling by binding to the ATP-binding site of the kinase of JAK3","volume":"24","author":"B-H Kim","year":"2020","journal-title":"J Cell Mol Med"},{"key":"pone.0357595.ref040","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1016\/j.cbi.2014.09.003","article-title":"Astin B, a cyclic pentapeptide from Aster tataricus, induces apoptosis and autophagy in human hepatic L-02 cells","volume":"223","author":"L Wang","year":"2014","journal-title":"Chem Biol Interact"},{"key":"pone.0357595.ref041","doi-asserted-by":"crossref","first-page":"68","DOI":"10.1016\/j.ejmech.2017.03.004","article-title":"Therapeutic potentials of baicalin and its aglycone, baicalein against inflammatory disorders","volume":"131","author":"B Dinda","year":"2017","journal-title":"Eur J Med Chem"},{"issue":"1","key":"pone.0357595.ref042","first-page":"14","article-title":"An overview of pharmacological activities of baicalin and its aglycone baicalein: new insights into molecular mechanisms and signaling pathways","volume":"25","author":"Z Hu","year":"2022","journal-title":"Iran J Basic Med Sci"},{"issue":"4","key":"pone.0357595.ref043","doi-asserted-by":"crossref","first-page":"642","DOI":"10.1016\/j.pbb.2009.03.008","article-title":"Baicalein exerts neuroprotective effects in 6-hydroxydopamine-induced experimental parkinsonism in vivo and in vitro","volume":"92","author":"X Mu","year":"2009","journal-title":"Pharmacol Biochem Behav"},{"key":"pone.0357595.ref044","doi-asserted-by":"crossref","first-page":"106123","DOI":"10.1016\/j.intimp.2019.106123","article-title":"Oroxylin A inhibits carcinogen-induced skin tumorigenesis through inhibition of inflammation by regulating SHCBP1 in mice","volume":"80","author":"H Huang","year":"2020","journal-title":"Int Immunopharmacol"},{"issue":"10","key":"pone.0357595.ref045","doi-asserted-by":"crossref","first-page":"1511","DOI":"10.1248\/bpb.b20-00262","article-title":"Oroxylin A exerts its antitumor effects in human gallbladder cancer via inhibition of the PTEN\/PI3K\/AKT signaling pathway","volume":"43","author":"L Xuan","year":"2020","journal-title":"Biol Pharm Bull"},{"key":"pone.0357595.ref046","doi-asserted-by":"crossref","first-page":"47","DOI":"10.1016\/j.neulet.2017.01.032","article-title":"Establishing between-session reliability of TMS-conditioned soleus H-reflexes","volume":"640","author":"WA Gray","year":"2017","journal-title":"Neurosci Lett"},{"issue":"23","key":"pone.0357595.ref047","doi-asserted-by":"crossref","first-page":"4384","DOI":"10.3390\/molecules24234384","article-title":"Oroxin B induces apoptosis by down-regulating microRNA-221 resulting in the inactivation of the PTEN\/PI3K\/AKT pathway in liver cancer","volume":"24","author":"N Li","year":"2019","journal-title":"Molecules"},{"key":"pone.0357595.ref048","doi-asserted-by":"crossref","first-page":"1060721","DOI":"10.3389\/fendo.2022.1060721","article-title":"Oroxin B alleviates osteoarthritis through anti-inflammation and inhibition of PI3K\/AKT\/mTOR signaling pathway and enhancement of autophagy","volume":"13","author":"R Lu","year":"2022","journal-title":"Front Endocrinol (Lausanne)"},{"key":"pone.0357595.ref049","doi-asserted-by":"crossref","first-page":"114352","DOI":"10.1016\/j.jep.2021.114352","article-title":"Screen of anti-migraine active compounds from Duijinsan by spectrum-effect relationship analysis and molecular docking","volume":"279","author":"G Zheng","year":"2021","journal-title":"J Ethnopharmacol"},{"key":"pone.0357595.ref050","article-title":"Biological prospecting of endophytic fungi from the stem bark of Oroxylum indicum (L.) Kurz with antioxidant efficacy","author":"S Sushma","year":"2025","journal-title":"J Appl Pharm Sci"},{"key":"pone.0357595.ref051","article-title":"UPLC-MS analysis quantification of compounds and comparison of bioactivity of methanol extract and its fractions from Qiai (Artemisia argyi Level)","author":"T Zhang","year":"2023","journal-title":"Artemisia argyi Level"},{"issue":"6","key":"pone.0357595.ref052","doi-asserted-by":"crossref","first-page":"2765","DOI":"10.1080\/07391102.2023.2208224","article-title":"System-level protein interaction network analysis and molecular dynamics study reveal interaction of ferulic acid with PTGS2 as a natural radioprotector","volume":"42","author":"P Gollapalli","year":"2024","journal-title":"J Biomol Struct Dyn"},{"issue":"11","key":"pone.0357595.ref053","doi-asserted-by":"crossref","first-page":"3396","DOI":"10.1080\/07391102.2019.1657499","article-title":"Structure-based virtual screening, molecular dynamics simulation and MM-PBSA toward identifying the inhibitors for two-component regulatory system protein NarL of Mycobacterium tuberculosis","volume":"38","author":"N Kumar","year":"2020","journal-title":"J Biomol Struct Dyn"},{"key":"pone.0357595.ref054","doi-asserted-by":"crossref","first-page":"215","DOI":"10.1016\/j.neulet.2009.07.085","article-title":"In silico study of naphtha [1, 2-d] thiazol-2-amine with adenosine A 2A receptor and its role in antagonism of haloperidol-induced motor impairments in mice","volume":"463","author":"PM Luthra","year":"2009","journal-title":"Neurosci Lett"},{"issue":"9","key":"pone.0357595.ref055","doi-asserted-by":"crossref","first-page":"4393","DOI":"10.1021\/jp0572535","article-title":"Thermodynamics of hydrogen bonding in hydrophilic and hydrophobic media","volume":"110","author":"D van der Spoel","year":"2006","journal-title":"J Phys Chem B"},{"key":"pone.0357595.ref056","doi-asserted-by":"crossref","first-page":"1189","DOI":"10.1080\/07391102.2020.1726819","article-title":"Molecular docking, 3D-QSAR, and molecular dynamics simulations of thieno[3,2-b]pyrrole derivatives against anticancer targets of KDM1A\/LSD1","volume":"39","author":"X Zhang","year":"2021","journal-title":"J Biomol Struct Dyn"},{"key":"pone.0357595.ref057","doi-asserted-by":"crossref","first-page":"45","DOI":"10.25259\/KMJ_22_2024","article-title":"Role of antioxidants in enhancing radioprotection: Insights from diagnostic radiology and radiotherapy studies","volume":"47","author":"S Abhijith","year":"2024","journal-title":"Karnataka Med J"},{"key":"pone.0357595.ref058","doi-asserted-by":"crossref","first-page":"477","DOI":"10.3389\/fphys.2018.00477","article-title":"Role of ROS and nutritional antioxidants in human diseases","volume":"9","author":"Z Liu","year":"2018","journal-title":"Front Physiol"},{"key":"pone.0357595.ref059","doi-asserted-by":"crossref","DOI":"10.5772\/intechopen.82079","article-title":"Superoxide dismutase: a stable biochemical marker for abiotic stress tolerance in higher plants","volume-title":"Abiotic and Biotic Stress in Plants","author":"K Berwal","year":"2019"},{"issue":"6","key":"pone.0357595.ref060","doi-asserted-by":"crossref","first-page":"1583","DOI":"10.1089\/ars.2011.3999","article-title":"Superoxide dismutases: role in redox signaling, vascular function, and diseases","volume":"15","author":"T Fukai","year":"2011","journal-title":"Antioxid Redox Signal"},{"key":"pone.0357595.ref061","doi-asserted-by":"crossref","first-page":"464","DOI":"10.1016\/j.freeradbiomed.2017.08.013","article-title":"Extracellular superoxide dismutase and its role in cancer","volume":"112","author":"B Griess","year":"2017","journal-title":"Free Radic Biol Med"},{"key":"pone.0357595.ref062","first-page":"287","article-title":"First line defence antioxidants-superoxide dismutase (SOD), catalase (CAT) and glutathione peroxidase (GPX): their fundamental role in the entire antioxidant defence grid","volume":"54","author":"OM Ighodaro","year":"2018","journal-title":"Alex J Med"}],"container-title":["PLOS One"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/dx.plos.org\/10.1371\/journal.pone.0357595","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,9,9]],"date-time":"2026-09-09T17:37:35Z","timestamp":1788975455000},"score":1,"resource":{"primary":{"URL":"https:\/\/dx.plos.org\/10.1371\/journal.pone.0357595"}},"subtitle":[],"editor":[{"given":"Saikat","family":"Dewanjee","sequence":"first","affiliation":[{"name":"Jadavpur University","place":["INDIA"]}],"role":[{"vocabulary":"crossref","role":"editor"}]}],"short-title":[],"issued":{"date-parts":[[2026,9,9]]},"references-count":62,"journal-issue":{"issue":"9","published-online":{"date-parts":[[2026,9,9]]}},"URL":"https:\/\/doi.org\/10.1371\/journal.pone.0357595","relation":{},"ISSN":["1932-6203"],"issn-type":[{"value":"1932-6203","type":"electronic"}],"subject":[],"published":{"date-parts":[[2026,9,9]]}}}