Emergence of antibiotic-resistant () restricts the availability of drugs for the treatment of tuberculosis, which leads to the increased morbidity and mortality of the disease worldwide. There are many intrinsic and extrinsic factors that have been reported for the resistance mechanism. To overcome such mechanisms, chemically synthesized benzaldehyde thiosemicarbazone derivatives were screened against to find potential inhibitor for tuberculosis. Such filtering process resulted in compound 13, compound 21, and compound 20 as the best binding energy compounds against DNA gyrase B, an important protein in the replication process. The ADMET prediction has shown the oral bioavailability of the novel compounds.
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http://dx.doi.org/10.1155/2021/6140378 | DOI Listing |
Spectrochim Acta A Mol Biomol Spectrosc
December 2024
Department of Chemistry, National Institute of Technology-Tiruchirappalli, Tamil Nadu 620015, India. Electronic address:
R - C(S) - NH - N = CH - R [R = o-OCHCH & R = CHN (2-EBP), R = o-OCHCH & R = CHNO (2-EBM), R = p-OCHCH & R = CHN (4-EBP), and R = p-OCHCH & R = CHNO (4-EBM)] have been synthesized. The ligands have been verified via various spectroscopic methods such as IR, NMR, etc. Single-crystal X-ray diffraction methods were applied to identify the structure of 4-EBP.
View Article and Find Full Text PDFEur J Med Chem
December 2024
Department of Inorganic Chemistry, School of Sciences, Universidad Autónoma de Madrid (UAM), Madrid, 28049, Spain; Institute for Advance Research in Chemistry UAM, Madrid, 28049, Spain. Electronic address:
Copper(II)-based complexes are promising candidates as anti-cancer agents due to their ability to target cancer cells. Here we describe the synthesis and characterization of two copper(II) thiosemicarbazone complexes with the ligands 4-(dimethylamino)benzaldehyde N4-methylthiosemicarbazone (HL) and 4-(dimethylamino)benzaldehyde N4-(4-(dimethylamino)phenylthiosemicarbazone (HL) and general formula [Cu(L)]. The complexes show stability in aqueous solution with 1 % of DMSO that allows to stablish its solution profile in biological buffers.
View Article and Find Full Text PDFCurr Med Chem
October 2024
Institute of Chemical Sciences, Bahauddin Zakariya University, Multan-60800, Pakistan.
Introduction: Prolyl-specific oligopeptidase (POP), one of the brain's highly expressed enzymes, is an important target for the therapy of central nervous system disorders, notably autism spectrum disorder, schizophrenia, Parkinson's, Alzheimer's disease, and dementia.
Method: The current study was designed to investigate 2,4-bis(trifluoromethyl) benzaldehyde- based thiosemicarbazones as POP inhibitors to treat the above-mentioned disorders. A variety of techniques, such as nuclear magnetic resonance (NMR), mass spectrometry (MS), and Fourier-transform infrared spectroscopy (FTIR), were used for the structural confirmation of synthesized compounds.
Int J Mol Sci
October 2024
Department of Chemistry, Adam Mickiewicz University, Uniwersytetu Poznanskiego 8, 61-614 Poznan, Poland.
The antiproliferative and antibacterial activities of thiosemicarbazones increase markedly with the presence of metal ions. One of the factors determining the activity of metal thiosemicarbazone complexes is the coordination structure. In this study, the biological effects of new antimony (III) and bismuth (III) thiosemicarbazone complexes with different binding modes and geometrical structures were demonstrated.
View Article and Find Full Text PDFHeliyon
June 2024
University Institute of Engineering and Technology, Maharshi Dayanand University, Rohtak, 124001, Haryana, India.
In the previous study, the synthesis and characterization of 4-(3-fluorophenyl)-3-thiosemicarbazide and benzaldehyde derivatives based thiosemicarbazone ligands and their Co(II), Ni(II), Cu(II), Zn(II) complexes were carried out to evaluate their malarial and oxidant and inflammatory inhibition abilities, demonstrating that these compounds have robust efficacy for these ailments. In the present research, to find out a combating agent against breast cancer, tuberculosis, bacterial and fungal ailments, the compounds were tested through MTT, microplate alamar blue and serial dilution protocols. ADMET and DFT investigation were analyzed against highly bioactive compounds (2, 7-10) to give a new insight about compound's reactivity, stability and drug likeness properties.
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