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Effect of Concentration of TiO Nanoparticles on Thiadiazole Derivative and Their Molecular Docking Study.
J Fluoresc
December 2024
Department of Studies in Physics, Karnatak University, Dharwad, 580003, Karnataka, India.
In the present work, we report the synthesis of TiO nanoparticles by hydrothermal method using titanium isopropoxide. The synthesized TiO nanoparticles were investigated by Powder X-ray diffraction, FE-SEM with EDX, Photoluminescence, UV-Visible absorption and Fluorescence emission spectroscopy. Fluorescence intensity and absorption values of 4-[5-(2,5-Dimethyl-pyrrol-1-yl)-[1,3,4]thiadiazol-2-ylsulfanylmethyl]-6-methoxy-chromen-2-one (DTYMC) molecule decreases with adding the concentration of TiO nanoparticles.
View Article and Find Full Text PDFHomology modelling, molecular docking studies and synthesis of aminopyrimidines as inhibitors for deoxynucleoside kinase analogues in cancer chemoprevention.
Nucleosides Nucleotides Nucleic Acids
October 2024
Department of Pharmacology, College of Pharmacy, King Khalid University, Abha, Saudi Arabia.
The development of alternative anticancer agents with minimal side effects has become more critical due to the rising recurrence of mammalian malignancies and the severe side effects of chemotherapeutic treatments. Kinases are an essential target for neostatic impact as they play an important role in the modulation of growth factor signalling. Our work aims to screen novel nine-series of thiazole-based aminopyrimidines and sulphaminopyrimidines against the enzymes mitochondrial thymidine kinase 2, deoxyguanosine kinase (2OCP), deoxycytidine kinase (2QRN) and thymidylate kinase (1E2Q) by molecular docking, synthesise and to study their in vitro inhibitory studies.
View Article and Find Full Text PDFGenomic and phenotypic polymorphism of Clostridium botulinum Group II strain Beluga through laboratory domestication.
Int J Food Microbiol
January 2025
Department of Food Hygiene and Environmental Health, Faculty of Veterinary Medicine, University of Helsinki, 00014 Helsinki, Finland. Electronic address:
Article Synopsis
- Laboratory domestication leads to genetic and physiological changes in organisms, impacting foodborne pathogens like Clostridium botulinum.
- Research on C. botulinum Group II Beluga revealed a thymidine dependency due to a mutation in the thyA gene, affecting nutrient synthesis.
- The study emphasizes the importance of monitoring laboratory strains for mutations to ensure accuracy in food safety tests, recommending lower passage numbers and regular genomic checks.
Identification of mycobacterial Thymidylate kinase inhibitors: a comprehensive pharmacophore, machine learning, molecular docking, and molecular dynamics simulation studies.
Mol Divers
August 2024
SilicoScientia Private Limited, Nagananda Commercial Complex, No. 07/3, 15/1, 18th Main Road, Jayanagar 9th Block, Bengaluru, 560041, India.
Thymidylate kinase (TMK) is a pivotal enzyme in Mycobacterium tuberculosis (Mtb), crucial for phosphorylating thymidine monophosphate (dTMP) to thymidine diphosphate (dTDP), thereby playing a critical role in DNA biosynthesis. Dysregulation or inhibition of TMK activity disrupts DNA replication and cell division, making it an attractive target for anti-tuberculosis drug development. In this study, the statistically validated pharmacophore mode was developed from a set of known TMK inhibitors.
View Article and Find Full Text PDFfolA thyA knockout E. coli as a suitable surrogate model for evaluation of antifolate sensitivity against PfDHFR-TS.
Acta Trop
October 2024
National Center for Genetic Engineering and Biotechnology, National Science and Technology Development Agency, Thailand Science Park, Pathumthani, Thailand. Electronic address:
A new superior bacteria complementation model was achieved for testing antifolate compounds and investigating antifolate resistance in the dihydrofolate reductase (DHFR) enzyme of the malaria parasite. Earlier models depended on the addition of trimethoprim (TMP) to chemically suppress the host Escherichia coli (Ec) DHFR function. However, incomplete suppression of EcDHFR and potential interference of antibiotics needed to maintain plasmids for complementary gene expression can complicate the interpretations.
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