{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,29]],"date-time":"2026-10-29T19:16:37Z","timestamp":1793301397991,"version":"4.5.0"},"reference-count":42,"publisher":"Public Library of Science (PLoS)","issue":"10","license":[{"start":{"date-parts":[[2025,10,23]],"date-time":"2025-10-23T00:00:00Z","timestamp":1761177600000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"DOI":"10.13039\/501100007129","name":"Natural Science Foundation of Shandong Province","doi-asserted-by":"publisher","award":["ZR2022QD153"],"award-info":[{"award-number":["ZR2022QD153"]}],"id":[{"id":"10.13039\/501100007129","id-type":"DOI","asserted-by":"publisher"}]},{"name":"Shandong Medical and Health Science and Technology Development Plan Project","award":["202104050494"],"award-info":[{"award-number":["202104050494"]}]}],"content-domain":{"domain":["www.plosone.org"],"crossmark-restriction":false},"short-container-title":["PLoS One"],"abstract":"<jats:sec id=\"sec001\">\n                    <jats:title>Background<\/jats:title>\n                    <jats:p>\n                      Inflammation is a critical immune response that protects the body from infections and injuries. However, chronic inflammation can lead to diseases such as cancer. Curcumin, a bioactive compound extracted from\n                      <jats:italic>\n                        <jats:italic>Curcuma longa<\/jats:italic>\n                      <\/jats:italic>\n                      , has been widely studied for its anti-inflammatory properties. Despite extensive research, the comprehensive molecular mechanisms underlying curcumin\u2019s anti-inflammatory effects, particularly its multi-target regulatory network, remain incompletely understood. This study aims to elucidate these mechanisms using an integrated approach combining network pharmacology, molecular docking, molecular dynamics simulation, and in vitro experimental validation.\n                    <\/jats:p>\n                  <\/jats:sec>\n                  <jats:sec id=\"sec002\">\n                    <jats:title>Methods<\/jats:title>\n                    <jats:p>\n                      We utilized network pharmacology to identify potential targets and pathways involved in curcumin\u2019s anti-inflammatory effects. Molecular docking and dynamics simulation were conducted to evaluate the binding affinity and stability of curcumin with key inflammatory targets. The anti-inflammatory effects of curcumin were further validated in vitro using LPS-induced RAW 264.7 cells. Cell viability, NO content, and mRNA expression levels of pro-inflammatory cytokines (\n                      <jats:italic>IL-1\u03b2<\/jats:italic>\n                      ,\n                      <jats:italic>IL-6,<\/jats:italic>\n                      and\n                      <jats:italic>TNF<\/jats:italic>\n                      ) were assessed.\n                    <\/jats:p>\n                  <\/jats:sec>\n                  <jats:sec id=\"sec003\">\n                    <jats:title>Results<\/jats:title>\n                    <jats:p>\n                      Network pharmacology identified 135 potential targets for curcumin\u2019s anti-inflammatory effects, with key pathways including TNF, HIF-1, PI3K-Akt, JAK-STAT, and MAPK signaling pathways. Molecular docking revealed strong binding affinities of curcumin with core targets such as IL-6, TNF, IL-1\u03b2, AKT1, and STAT3, with binding energies ranging from \u22126.2 to \u22127.5 kcal\/mol. Molecular dynamics simulations demonstrated the stability of these complexes over a 100-nanosecond period. In vitro experiments showed that curcumin significantly reduced NO production and mRNA expression of\n                      <jats:italic>IL-1\u03b2<\/jats:italic>\n                      ,\n                      <jats:italic>IL-6,<\/jats:italic>\n                      and\n                      <jats:italic>TNF<\/jats:italic>\n                      in LPS-induced RAW 264.7 cells, with optimal effects observed at a concentration of 125 \u03bcg\/mL.\n                    <\/jats:p>\n                  <\/jats:sec>\n                  <jats:sec id=\"sec004\">\n                    <jats:title>Conclusion<\/jats:title>\n                    <jats:p>Our study provides a comprehensive understanding of curcumin\u2019s anti-inflammatory mechanisms through an integrated approach. The findings highlight curcumin\u2019s potential as a therapeutic agent for inflammatory diseases. However, further in vivo studies are necessary to fully elucidate its therapeutic efficacy and mechanisms of action.<\/jats:p>\n                  <\/jats:sec>","DOI":"10.1371\/journal.pone.0335139","type":"journal-article","created":{"date-parts":[[2025,10,23]],"date-time":"2025-10-23T17:34:47Z","timestamp":1761240887000},"page":"e0335139","update-policy":"https:\/\/doi.org\/10.1371\/journal.pone.corrections_policy","source":"Crossref","is-referenced-by-count":13,"title":["Curcumin attenuates LPS-induced inflammation in RAW 264.7 cells: A multifaceted study integrating network pharmacology, molecular docking, molecular dynamics simulation, and experimental 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