{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,8]],"date-time":"2026-09-08T10:09:24Z","timestamp":1788862164525,"version":"build-2803163510"},"reference-count":198,"publisher":"MDPI AG","issue":"10","license":[{"start":{"date-parts":[[2025,10,13]],"date-time":"2025-10-13T00:00:00Z","timestamp":1760313600000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"name":"Post Graduate Research Scholarship (JCUPRS) by James Cook University"},{"name":"NHMRC Ideas Grant","award":["APP1183323"],"award-info":[{"award-number":["APP1183323"]}]},{"name":"NHMRC Ideas Grant","award":["APP 202934"],"award-info":[{"award-number":["APP 202934"]}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Pharmaceuticals"],"abstract":"<jats:p>Background: Inflammatory Bowel Disease (IBD), including Ulcerative Colitis and Crohn\u2019s Disease, is a multifactorial inflammatory condition of the intestinal tract driven by a complex interplay of genetic factors, immune system dysfunction, and gut microbiota alterations. This review aims to synthesize current advancements in modern drug development strategies for IBD. It emphasizes the integration of computational modelling, cell-based experiments, and animal model studies to enhance translational outcomes. Methods: To compile this review, an extensive literature search was performed utilizing PubMed, Scopus, and Google Scholar databases for English-language research and review articles published between 2000 and 2025 using keywords such as \u201cIBD,\u201d \u201cmolecular docking,\u201d \u201cbioinformatics,\u201d \u201corganoids,\u201d \u201canimal models,\u201d and \u201cnetwork pharmacology,\u201d among others. A total of 199 peer-reviewed studies were identified for inclusion based on relevance, transparency, and methodological robustness. Results: The review outlines a range of cutting-edge approaches to IBD drug discovery. These include computer modelling, molecular docking, and network analysis to accelerate early-stage target prediction and drug screening. The review further highlights the critical importance of utilizing 2D and 3D cell culture systems in parallel with advanced animal models. It emphasizes the critical integration of computational predictions with biologically relevant in vitro and in vivo validations to improve the reliability and efficiency of drug development. Conclusions: The integration of computer modelling, cell culture systems, and animal studies provides a revolutionary paradigm for accelerating drug discovery to IBD and other diseases enabling personalized and more effective treatment approaches.<\/jats:p>","DOI":"10.3390\/ph18101536","type":"journal-article","created":{"date-parts":[[2025,10,13]],"date-time":"2025-10-13T13:13:27Z","timestamp":1760361207000},"page":"1536","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":12,"title":["From AI-Assisted In Silico Computational Design to Preclinical In Vivo Models: A Multi-Platform Approach to Small Molecule Anti-IBD Drug Discovery"],"prefix":"10.3390","volume":"18","author":[{"given":"Joya Datta","family":"Ripa","sequence":"first","affiliation":[{"name":"College of Science and Engineering, Cairns Campus, James Cook University, Cairns, QLD 4878, Australia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Sarfaraz","family":"Ali","sequence":"additional","affiliation":[{"name":"College of Science and Engineering, Cairns Campus, James Cook University, Cairns, QLD 4878, Australia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-0788-6513","authenticated-orcid":false,"given":"Matt","family":"Field","sequence":"additional","affiliation":[{"name":"College of Science and Engineering, Cairns Campus, James Cook University, Cairns, QLD 4878, Australia"},{"name":"Centre for Tropical Bioinformatics and Molecular Biology, Cairns Campus, James Cook University, Cairns, QLD 4878, Australia"},{"name":"Immunogenomics Lab, Garvan Institute of Medical Research, Darlinghurst, NSW 2000, Australia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"John","family":"Smithson","sequence":"additional","affiliation":[{"name":"College of Medicine and Dentistry, Townsville Campus, James Cook University, Townsville, QLD 4811, Australia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-4381-7382","authenticated-orcid":false,"given":"Phurpa","family":"Wangchuk","sequence":"additional","affiliation":[{"name":"College of Science and Engineering, Cairns Campus, James Cook University, Cairns, QLD 4878, Australia"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"1968","published-online":{"date-parts":[[2025,10,13]]},"reference":[{"key":"ref_1","doi-asserted-by":"crossref","first-page":"2769","DOI":"10.1016\/S0140-6736(17)32448-0","article-title":"Worldwide incidence and prevalence of inflammatory bowel disease in the 21st century: A systematic review of population-based studies","volume":"390","author":"Ng","year":"2017","journal-title":"Lancet"},{"key":"ref_2","doi-asserted-by":"crossref","first-page":"386","DOI":"10.1016\/j.cgh.2024.06.049","article-title":"The cost of inflammatory bowel disease care: How to make it sustainable","volume":"23","author":"Burisch","year":"2025","journal-title":"Clin. 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