Herewith, we report the design and synthesis of a series of N-(2-oxo-2((4-oxo-2-substituted thiazolidin-3yl)amino)ethyl) benzamide derivatives 7(a-j) under microwave irradiation, based on four component pharmacophoric model to get structural prerequisite indispensable for anticonvulsant activity. The synthesized derivatives were investigated in maximal electroshock seizure (MES), subcutaneous pentylenetetrazole (sc-PTZ) induced seizure and neurotoxicity screening. All the test compounds were administered at a dose of 30, 100 and 300 mg/kg body weight at the time interval of 0.5 h and 4 h. The compounds were also evaluated for behavioral activity and toxicity study. The compound 7 h was found to be most active in MES model. The anticonvulsant screening data shows that 65% of the compounds were found active against MES model when compared to 35% sc-PTZ model. The computational parameter such as docking study, logP determination and ADME prediction were performed to exploit the results.
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http://dx.doi.org/10.1016/j.bmcl.2014.11.016 | DOI Listing |
Curr Med Chem
January 2025
Laboratory of Pharmaceutical Biotechnology and Bioinformatics, Department of Genetic Engineering and Biotechnology, Jashore University of Science and Technology, Jashore, 7408, Bangladesh.
Background: Breast cancer is a frequently diagnosed malignant disease and the primary cause of mortality among women with cancer worldwide. The therapy options are influenced by the molecular subtype due to the intricate nature of the condition, which consists of various subtypes. By focusing on the activation of receptors, Epidermal Growth Factor Receptor (EGFR) tyrosine kinase can be utilized as an effective drug target for therapeutic purposes of breast cancer.
View Article and Find Full Text PDFFront Parasitol
September 2024
Centro de Cálculo Científico de la Universidad de Los Andes (CeCalCULA), Universidad de Los Andes (ULA), Mérida, Venezuela.
Artemisinin-based treatments (ACTs) are the first therapy currently used to treat malaria produced by . However, in recent years, increasing evidence shows that some strains of are less susceptible to ACT in the Southeast Asian region. A data reanalysis of several omics approaches currently available about parasites of that have some degree of resistance to ACT was carried out.
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March 2024
Departamento de Infectómica y Patogénesis Molecular, Centro de Investigación y de Estudios Avanzados del Instituto Politécnico Nacional [CINVESTAV-Instituto Politécnico Nacional (IPN)], Mexico City, Mexico.
The retromer is a highly conserved eukaryotic complex formed by the cargo selective complex (CSC) and the sorting nexin (SNX) dimer subcomplexes. Its function is protein recycling and recovery from the endosomes to conduct the target molecules to the trans-Golgi network or the plasma membrane. The protozoan responsible for human amoebiasis, , exhibits an active membrane movement and voracious phagocytosis, events in which the retromer may be fully involved.
View Article and Find Full Text PDFWorld J Gastrointest Oncol
January 2025
Department of Special Service, No. 988 Hospital of the Joint Service Support Force of PLA, Zhengzhou 450042, Henan Province, China.
The study by Yang presents a comprehensive investigation into the therapeutic potential of curcumin for gastric cancer (GC). Using network pharmacology, the researchers identified 48 curcumin-related genes, 31 of which overlap with GC targets. Key genes, including , , , , , and , are linked to poor survival in GC patients.
View Article and Find Full Text PDFComput Struct Biotechnol J
December 2024
Department of Medicinal Chemistry, Institute of Pharmacy, Martin-Luther-University of Halle-Wittenberg, Halle (Saale) 06120, Germany.
Reliable in silico prediction of fragment binding modes remains a challenge in current drug design research. Due to their small size and generally low binding affinity, fragments can potentially interact with their target proteins in different ways. In the current study, we propose a workflow aimed at predicting favorable fragment binding sites and binding poses through multiple short molecular dynamics simulations.
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