{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,29]],"date-time":"2026-10-29T12:24:33Z","timestamp":1793276673021,"version":"4.5.0"},"reference-count":69,"publisher":"Frontiers Media SA","license":[{"start":{"date-parts":[[2024,10,15]],"date-time":"2024-10-15T00:00:00Z","timestamp":1728950400000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"content-domain":{"domain":["frontiersin.org"],"crossmark-restriction":true},"short-container-title":["Front. Mol. Biosci."],"abstract":"<jats:p>Platelet-derived growth factor receptor beta (PDGFR\u03b2) belongs to the receptor tyrosine kinase (RTK) protein family and is implicated in several disorders such as hematopoietic, glial, and soft-tissue cancer, non-cancerous disorders, including skeletal defects, brain calcification, and vascular anomalies. The research on small molecule inhibitors targeting PDGFR\u03b2 in cancer treatment has seen promising developments, but significant gaps remain. PDGFR\u03b2, receptor tyrosine kinase, is overexpressed in various cancers and plays an important role in tumor progression, making it a potential therapeutic target. However, despite advances in identifying and characterizing PDGFR\u03b2 inhibitors, few have progressed to clinical trials, and the mechanistic details of PDGFR\u03b2\u2032s interactions with small molecule inhibitors are still not fully understood. Moreover, the specificity and selectivity of these inhibitors remain challenging, as off-target effects can lead to unwanted toxicity. In this investigation, two compounds, Genostrychnine and Chelidonine, were discovered that help inhibit the kinase activity of PDGFR\u03b2. These small molecules were identified by employing various parameters involved in the drug discovery process, such as Lipinski\u2019s rule of five (RO5), 2D similarity search and 3D pharmacophore-based virtual screening followed by MD simulation studies. The identified molecules were found to be effective and significantly bound with the PDGFR\u03b2 kinase domain. Overall, our findings demonstrate that these small drug-like compounds can be beneficial tools in studying the properties of PDGFR\u03b2 and can play a crucial role in the therapeutic development of cancers and other associated diseases.<\/jats:p>","DOI":"10.3389\/fmolb.2024.1492847","type":"journal-article","created":{"date-parts":[[2024,10,15]],"date-time":"2024-10-15T04:47:59Z","timestamp":1728967679000},"update-policy":"https:\/\/doi.org\/10.3389\/crossmark-policy","source":"Crossref","is-referenced-by-count":10,"title":["Identification of potential bioactive phytochemicals for the inhibition of platelet-derived growth factor receptor \u03b2: a structure-based approach for cancer therapy"],"prefix":"10.3389","volume":"11","author":[{"given":"Insan","family":"Habib","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Md Nayab","family":"Sulaimani","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Deeba Shamim","family":"Jairajpuri","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Afzal","family":"Hussain","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Taj","family":"Mohammad","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Mohamed F.","family":"Alajmi","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Anas","family":"Shamsi","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Md Imtaiyaz","family":"Hassan","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"1965","published-online":{"date-parts":[[2024,10,15]]},"reference":[{"key":"B1","doi-asserted-by":"publisher","first-page":"19","DOI":"10.1016\/j.softx.2015.06.001","article-title":"GROMACS: high performance molecular simulations through multi-level parallelism from laptops to supercomputers","volume":"1","author":"Abraham","year":"2015","journal-title":"SoftwareX"},{"key":"B2","doi-asserted-by":"publisher","first-page":"1083","DOI":"10.3390\/jpm12071083","article-title":"Discovering tuberosin and villosol as potent and selective inhibitors of AKT1 for therapeutic targeting of oral squamous cell carcinoma","volume":"12","author":"Adnan","year":"","journal-title":"J. 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