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Tecnologia","award":["UIDB\/00313\/2025"],"award-info":[{"award-number":["UIDB\/00313\/2025"]}]},{"name":"Funda\u00e7\u00e3o para a Ci\u00eancia e a Tecnologia","award":["UIDP\/00313\/2025"],"award-info":[{"award-number":["UIDP\/00313\/2025"]}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Molecules"],"abstract":"<jats:p>Three previously synthesized ketene dithioacetals were used as intermediates to obtain four nucleophiles to synthesize ten tetra-substituted pyrazoles (11\u201320). This was achieved through microwave irradiation in ethanol as the solvent, yielding superb results ranging from 68.4% to 90.1%, in agreement with some of the principles of green chemistry. The proposed structures were determined using various spectroscopic techniques, including infrared spectroscopy and hydrogen and carbon-13 nuclear magnetic resonance. Furthermore, the compounds underwent in-silico evaluations using CLC-Pred and AdmetSAR software to predict the absorption, distribution, metabolism, excretion, and toxicity (ADMET) properties. This was combined with molecular docking calculations for four main cancer-related targets for pyrazole core, to facilitate screening for subsequent biological assessments. Based on the data generated from these analyses, it was identified two pyrazoles (11 and 18) likely to exhibit anti-tumor activity, while also demonstrating low toxicity levels. Upon selection, these two pyrazoles were subjected to toxicity assessments using the Artemia salina method and evaluated for their effects on the viability of Jurkat cancer cells with a potency of 45.05 and 14.85 \u00b5M to 11 and 18, respectively, and with a potency of above 100 \u00b5M for the non-carcinogenic cells HEK 293. Overall, the findings from these studies indicate pyrazole derivatives as potential anti-tumor candidates.<\/jats:p>","DOI":"10.3390\/molecules30132880","type":"journal-article","created":{"date-parts":[[2025,7,7]],"date-time":"2025-07-07T08:58:23Z","timestamp":1751878703000},"page":"2880","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":6,"title":["Synthesis of Novel Tetra-Substituted Pyrazole Derivatives Using Microwave Irradiation and Their Anti-Leukemic Activity Against Jurkat Cells"],"prefix":"10.3390","volume":"30","author":[{"given":"Felipe P.","family":"Machado","sequence":"first","affiliation":[{"name":"Department of Organic Chemistry, Institute of Chemistry, Federal Rural University of Rio de Janeiro, Serop\u00e9dica 23897-000, RJ, Brazil"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-1688-1781","authenticated-orcid":false,"given":"Maria Clara","family":"Campos","sequence":"additional","affiliation":[{"name":"Paulo de G\u00f3es Institute of Microbiology, Federal University of Rio de Janeiro, Rio de Janeiro 21941-902, RJ, Brazil"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-0725-0198","authenticated-orcid":false,"given":"Juliana","family":"Echevarria-Lima","sequence":"additional","affiliation":[{"name":"Paulo de G\u00f3es Institute of Microbiology, Federal University of Rio de Janeiro, Rio de Janeiro 21941-902, RJ, Brazil"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-0388-5409","authenticated-orcid":false,"given":"Diego P.","family":"Sangi","sequence":"additional","affiliation":[{"name":"Institute of Exact Sciences, Fluminense Federal University, Volta Redonda 27213-145, RJ, Brazil"}]},{"given":"Carlos","family":"Serpa","sequence":"additional","affiliation":[{"name":"Department of Chemistry, Coimbra Chemistry Centre\u2014Institute of Molecular Science, University of Coimbra, Rua Larga, 3004-535 Coimbra, Portugal"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-6211-7659","authenticated-orcid":false,"given":"Ot\u00e1vio Augusto","family":"Chaves","sequence":"additional","affiliation":[{"name":"Department of Chemistry, Coimbra Chemistry Centre\u2014Institute of Molecular Science, University of Coimbra, Rua Larga, 3004-535 Coimbra, Portugal"},{"name":"Laboratory of Immunopharmacology, Centro de Pesquisa, Inova\u00e7\u00e3o e Vigil\u00e2ncia em COVID-19 e Emerg\u00eancias Sanit\u00e1rias, Oswaldo Cruz Institute, Oswaldo Cruz Foundation, Rio de Janeiro 21040-361, RJ, Brazil"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-7330-676X","authenticated-orcid":false,"given":"Aurea","family":"Echevarria","sequence":"additional","affiliation":[{"name":"Department of Organic Chemistry, Institute of Chemistry, Federal Rural University of Rio de Janeiro, Serop\u00e9dica 23897-000, RJ, Brazil"}]}],"member":"1968","published-online":{"date-parts":[[2025,7,7]]},"reference":[{"key":"ref_1","doi-asserted-by":"crossref","unstructured":"Zhang, L., Li, M., Wang, W., Yu, W., Liu, H., Wang, K., Chang, M., Deng, C., Ji, Y., and Chen, Y. 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