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Allopathic medicine is not satisfactory for curing RA. Scientific literature reports reveal that several phyto\u2010compounds\n                    <jats:italic>viz<\/jats:italic>\n                    . flavonoids, saponins, and terpenoids, can heal joints and organs from auto\u2010inflammatory rheumatoid arthritis and pain. Gene ontology, gene network analysis, molecular clustering, and literature review were used to optimise RA\u2010specific highly expressed genes.\n                    <jats:italic>In\u2010silico<\/jats:italic>\n                    molecular docking was performed to short\u2010out potential phytomolecules (Neohesperidin dihydrochalcone (NHDC)) from 1000 datasets\u2010library against RA and validate using MD simulation running at 100\u2005ns.\n                    <jats:italic>In\u2010vitro<\/jats:italic>\n                    anti\u2010inflammatory assays of NHDC inhibited egg\u2010albumin denaturation, IC\n                    <jats:sub>50<\/jats:sub>\n                    of 47.739\u00b10.51\u2005\u03bcg\/ml. The\n                    <jats:italic>ex\u2010vivo<\/jats:italic>\n                    MTT assay with NHDC rendered 67.209\u2009% inhibition at 100\u2005\u03bcM against fd\u2010FLS\u2010cells. NHDC downregulated pro\u2010inflammatory cytokine IL\u201017\u2005A production by 61.11\u2009% and 50\u2009% at 300 and 200\u2005\u03bcM, respectively. Thus, this Studies recommend that NHDC may be highlighted as a novel multi\u2010target PADI4 and JAK3 inhibitor with better efficacy and minimal toxicity in RA warranted to\n                    <jats:italic>In\u2010Vivo<\/jats:italic>\n                    and clinical investigation. The current findings have uncovered remarkable genes and signalling pathways linked to RA, which could enhance our existing comprehension of the molecular mechanisms that drive its development and progression.\n                  <\/jats:p>","DOI":"10.1002\/cbdv.202401137","type":"journal-article","created":{"date-parts":[[2024,8,25]],"date-time":"2024-08-25T22:44:02Z","timestamp":1724625842000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":7,"title":["Exploration of Potential Anti\u2010Inflammatory Cum Anti\u2010Rheumatoid\u2010Arthritis Phyto\u2010Molecule Through Integrated Green Approach: Network Pharmacology, Molecular Docking, Molecular Dynamics,\n                    <i>In\u2010Vitro<\/i>\n                    and\n                    <i>Ex\u2010Vivo<\/i>\n                    Study"],"prefix":"10.1002","volume":"21","author":[{"given":"Amresh","family":"Kumar","sequence":"first","affiliation":[{"name":"Bioinformatics and Computational Biology Centre Department of Life Sciences and Bioinformatics Assam University  Silchar, Assam 788011 India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Abu Md","family":"Ashif Ikbal","sequence":"additional","affiliation":[{"name":"Department of Pharmaceutical Sciences Drug Discovery Research Laboratory Assam University  Silchar 788011 India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Monjur","family":"Ahmed Laskar","sequence":"additional","affiliation":[{"name":"Bioinformatics and Computational Biology Centre Department of Life Sciences and Bioinformatics Assam University  Silchar, Assam 788011 India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Avik","family":"Sarkar","sequence":"additional","affiliation":[{"name":"Department of Clinical Immunology and Rheumatology Institute of Post-Graduate Medical Education &amp; Research  Kolkata 700020 India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Abhishek","family":"Saha","sequence":"additional","affiliation":[{"name":"Department of Clinical Immunology and Rheumatology Institute of Post-Graduate Medical Education &amp; Research  Kolkata 700020 India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Prashant","family":"Bhardwaj","sequence":"additional","affiliation":[{"name":"Department of Computer Sciences &amp; Engineering National Institute of Technology  Agartala, Tripura 799046 India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Suprio","family":"Das","sequence":"additional","affiliation":[{"name":"Department of Pharmaceutical Sciences Drug Discovery Research Laboratory Assam University  Silchar 788011 India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Santosh","family":"Kumar Singh","sequence":"additional","affiliation":[{"name":"Centre of Experimental Medicine and Surgery, IMS, BHU  Varanasi 221005 India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Parasar","family":"Ghosh","sequence":"additional","affiliation":[{"name":"Department of Clinical Immunology and Rheumatology Institute of Post-Graduate Medical Education &amp; Research  Kolkata 700020 India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Hanieh","family":"Kargarzadeh","sequence":"additional","affiliation":[{"name":"Center of Molecular and Macromolecular Studies Polish Academy of Sciences  Seinkiewicza 112 90-363 Lodz Poland"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-7544-391X","authenticated-orcid":false,"given":"Partha","family":"Palit","sequence":"additional","affiliation":[{"name":"Department of Pharmaceutical Sciences Drug Discovery Research Laboratory Assam University  Silchar 788011 India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Manabendra","family":"Dutta Choudhury","sequence":"additional","affiliation":[{"name":"Bioinformatics and Computational Biology Centre Department of Life Sciences and Bioinformatics Assam University  Silchar, Assam 788011 India"},{"name":"Rabindranath Tagore University  Hojai Assam 782435 India"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"311","published-online":{"date-parts":[[2024,11,20]]},"reference":[{"key":"e_1_2_10_1_1","volume":"9","author":"Li Z. 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