Preclinical Evaluation of 2-Aminobenzothiazole Derivatives: In Silico, In Vitro, and Preliminary In Vivo Studies as Diabetic Treatments and Their Complications
I tiakina i:
| I whakaputaina i: | Molecules vol. 30, no. 16 (2025), p. 3427-3456 |
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| Kaituhi matua: | |
| Ētahi atu kaituhi: | , , , , , |
| I whakaputaina: |
MDPI AG
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| Ngā marau: | |
| Urunga tuihono: | Citation/Abstract Full Text + Graphics Full Text - PDF |
| Ngā Tūtohu: |
Kāore He Tūtohu, Me noho koe te mea tuatahi ki te tūtohu i tēnei pūkete!
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MARC
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| 024 | 7 | |a 10.3390/molecules30163427 |2 doi | |
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| 100 | 1 | |a Reyes-Vallejo, Natalia |u Laboratorio de Biofísica y Biocatálisis, Sección de Estudios de Posgrado e Investigación, Escuela Superior de Medicina, Instituto Politcnico Nacional, Plan de San Luis y Salvador Díaz Mirón s/n, Casco de Santo Tomás, Miguel Hidalgo, Mexico City 11340, Mexico; reyes.natalia4@gmail.com (N.R.-V.); andres.alvarado.salazar@comunidad.unam.mx (J.A.A.-S.) | |
| 245 | 1 | |a Preclinical Evaluation of 2-Aminobenzothiazole Derivatives: In Silico, In Vitro, and Preliminary In Vivo Studies as Diabetic Treatments and Their Complications | |
| 260 | |b MDPI AG |c 2025 | ||
| 513 | |a Journal Article | ||
| 520 | 3 | |a Type 2 diabetes is a multifactorial disease characterized by chronic hyperglycemia, insulin resistance, oxidative stress, inflammation, and dyslipidemia, factors that contribute to the development of long-term complications. In this context, the 2-aminobenzothiazole scaffold has emerged as a promising candidate due to its broad spectrum of biological properties. In this study, we performed a multidisciplinary evaluation of benzothiazole derivatives (5a–d, 8a–d, 11a–d, and 12c–d), starting with the in silico prediction of their properties, along with molecular docking against aldose reductase (ALR2) and peroxisome proliferator-activated receptor gamma (PPAR-γ). All compounds complied with the main rules of pharmacological similarity and optimal affinity, highlighting 8d (ΔG = −8.39 kcal/mol for ALR2 and −7.77 kcal/mol for PPAR-γ). Selected compounds from families C and D were synthesized in moderate yields (~60%) and showed low acute oral toxicity (LD50 > 1250 mg/Kg). Compounds 8c and 8d inhibited ALR2 at concentrations below 10 µM. In vivo studies using a streptozotocin-induced diabetic rat model with a high-fat diet revealed that compound 8d produced sustained antihyperglycemic effects and reduced insulin resistance, dyslipidemia, and polydipsia, without inducing hepatotoxicity or displaying intrinsic antioxidant or anti-inflammatory activity. These findings suggest that 8d is a promising candidate for further development in diabetes-related therapeutic strategies. | |
| 653 | |a Antidiabetics | ||
| 653 | |a Physicochemical properties | ||
| 653 | |a Pharmacokinetics | ||
| 653 | |a Diabetes | ||
| 653 | |a Molecular weight | ||
| 653 | |a Metabolism | ||
| 653 | |a Toxicity | ||
| 653 | |a Hydrogen bonds | ||
| 653 | |a Diabetic neuropathy | ||
| 653 | |a Enzymes | ||
| 653 | |a Permeability | ||
| 653 | |a Bioavailability | ||
| 653 | |a Oxidative stress | ||
| 700 | 1 | |a Valdes, Miguel |u Laboratorio de Biofísica y Biocatálisis, Sección de Estudios de Posgrado e Investigación, Escuela Superior de Medicina, Instituto Politcnico Nacional, Plan de San Luis y Salvador Díaz Mirón s/n, Casco de Santo Tomás, Miguel Hidalgo, Mexico City 11340, Mexico; reyes.natalia4@gmail.com (N.R.-V.); andres.alvarado.salazar@comunidad.unam.mx (J.A.A.-S.) | |
| 700 | 1 | |a Reyes-Ramírez Adelfo |u Laboratorio de Síntesis Farmacéutica, Unidad Multidisciplinaria de Investigación Experimental Zaragoza, FES Zaragoza-Universidad Nacional Autonoma de México, Campus II. Batalla 5 de Mayo s/n, Ejército de Oriente Zona Peñón, Iztapalapa, Mexico City 09230, Mexico; adelfo.reyes@zaragoza.unam.mx | |
| 700 | 1 | |a Alvarado-Salazar, Juan Andres |u Laboratorio de Biofísica y Biocatálisis, Sección de Estudios de Posgrado e Investigación, Escuela Superior de Medicina, Instituto Politcnico Nacional, Plan de San Luis y Salvador Díaz Mirón s/n, Casco de Santo Tomás, Miguel Hidalgo, Mexico City 11340, Mexico; reyes.natalia4@gmail.com (N.R.-V.); andres.alvarado.salazar@comunidad.unam.mx (J.A.A.-S.) | |
| 700 | 1 | |a Cruz, Alejandro |u Laboratorio de Química Supramolecular y Nanociencias, Unidad Profesional Interdisciplinaria de Biotecnología, Departamento de Ciencias Básicas, Instituto Politécnico Nacional, Av. Acueducto s/n, Colonia Barrio La Laguna Ticomán, Mexico City 07340, Mexico; alcralmx@hotmail.com | |
| 700 | 1 | |a Andrade-Jorge, Erik |u Laboratorio de Investigación en Bioquímica, Sección de Estudios de Posgrado e Investigación, Escuela Superior de Medicina, Instituto Politécnico Nacional, Plan de San Luis y Salvador Díaz Mirón s/n, Casco de Santo Tomás, Miguel Hidalgo, Mexico City 11340, Mexico; andrade136@hotmail.com | |
| 700 | 1 | |a Mendieta-Wejebe, Jessica Elena |u Laboratorio de Biofísica y Biocatálisis, Sección de Estudios de Posgrado e Investigación, Escuela Superior de Medicina, Instituto Politcnico Nacional, Plan de San Luis y Salvador Díaz Mirón s/n, Casco de Santo Tomás, Miguel Hidalgo, Mexico City 11340, Mexico; reyes.natalia4@gmail.com (N.R.-V.); andres.alvarado.salazar@comunidad.unam.mx (J.A.A.-S.) | |
| 773 | 0 | |t Molecules |g vol. 30, no. 16 (2025), p. 3427-3456 | |
| 786 | 0 | |d ProQuest |t Health & Medical Collection | |
| 856 | 4 | 1 | |3 Citation/Abstract |u https://www.proquest.com/docview/3244048427/abstract/embedded/6A8EOT78XXH2IG52?source=fedsrch |
| 856 | 4 | 0 | |3 Full Text + Graphics |u https://www.proquest.com/docview/3244048427/fulltextwithgraphics/embedded/6A8EOT78XXH2IG52?source=fedsrch |
| 856 | 4 | 0 | |3 Full Text - PDF |u https://www.proquest.com/docview/3244048427/fulltextPDF/embedded/6A8EOT78XXH2IG52?source=fedsrch |