Structure‐guided identification of a selective sulfonamide‐based inhibitor targeting the human carbonic anhydrase VA isoform
Sign Up to like & getrecommendations! Published in 2022 at "Archiv der Pharmazie"
DOI: 10.1002/ardp.202200383
Abstract: In recent years, multistep hybrid computational protocols have attracted attention for their application in the drug discovery of enzyme inhibitors. So far, there are large collections of human carbonic anhydrase (hCA) inhibitors, but only a… read more here.
Keywords: human carbonic; sulfonamide based; carbonic anhydrase; hca ... See more keywords
QSAR and docking studies on Triazole Benzene Sulfonamides with human Carbonic anhydrase IX inhibitory activity
Sign Up to like & getrecommendations! Published in 2019 at "Journal of Chemometrics"
DOI: 10.1002/cem.3189
Abstract: Cancer is the second leading cause of death worldwide, and breast cancer accounts for 2.09 million cases in the year 2018. Hypoxia‐related human carbonic anhydrase IX enzyme was found to play a key role in… read more here.
Keywords: carbonic anhydrase; anhydrase inhibitory; triazole benzene; human carbonic ... See more keywords
Inhibition profiles of Voriconazole against acetylcholinesterase, α‐glycosidase, and human carbonic anhydrase I and II isoenzymes
Sign Up to like & getrecommendations! Published in 2019 at "Journal of Biochemical and Molecular Toxicology"
DOI: 10.1002/jbt.22385
Abstract: In this work, the inhibitory activity of Voriconazole was measured against some metabolic enzymes, including human carbonic anhydrase (hCA) I and II isoenzymes, acetylcholinesterase (AChE), and α‐glycosidase; the results were compared with standard compounds including… read more here.
Keywords: carbonic anhydrase; glycosidase; human carbonic; profiles voriconazole ... See more keywords
Unfolding intermediates of the mutant His-107-Tyr of human carbonic anhydrase II
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Chemical Sciences"
DOI: 10.1007/s12039-017-1279-1
Abstract: The mutant His-107-Tyr of human carbonic anhydrase II (HCA II) is highly unstable and has long been linked to a misfolding disease known as carbonic anhydrase deficiency syndrome (CADS). High temperature unfolding trajectories of the… read more here.
Keywords: carbonic anhydrase; human carbonic; mutant 107; 107 tyr ... See more keywords
Deuteration of human carbonic anhydrase for neutron crystallography: Cell culture media, protein thermostability, and crystallization behavior.
Sign Up to like & getrecommendations! Published in 2018 at "Archives of biochemistry and biophysics"
DOI: 10.1016/j.abb.2018.03.008
Abstract: Deuterated proteins and other bio-derived molecules are important for NMR spectroscopy, neutron reflectometry, small angle neutron scattering, and neutron protein crystallography. In the current study we optimized expression media and cell culture conditions to produce… read more here.
Keywords: neutron; cell culture; crystallography; human carbonic ... See more keywords
Sulfonamides incorporating piperazine bioisosteres as potent human carbonic anhydrase I, II, IV and IX inhibitors.
Sign Up to like & getrecommendations! Published in 2019 at "Bioorganic chemistry"
DOI: 10.1016/j.bioorg.2019.103130
Abstract: Starting from the molecular simplification of (R) 4-(3,4-dibenzylpiperazine-1-carbonyl)benzenesulfonamide 9a, a compound endowed with selectivity for human Carbonic Anhydrase (hCA) IV, a series of piperazines and 4-aminopiperidines carrying a 4-sulfamoylbenzamide moiety as Zn-binding group have been… read more here.
Keywords: incorporating piperazine; sulfonamides incorporating; carbonic anhydrase; human carbonic ... See more keywords
Structure-activity relationship of human carbonic anhydrase-II inhibitors: Detailed insight for future development as anti-glaucoma agents.
Sign Up to like & getrecommendations! Published in 2019 at "Bioorganic chemistry"
DOI: 10.1016/j.bioorg.2019.103557
Abstract: Human carbonic anhydrase-II (hCA-II) is the most dominant physiologic isoform amongst the sixteen reported hCA isoforms. Because of its high availability in the different anatomical, and cellular sites of the eye like retina and lens,… read more here.
Keywords: hca; human carbonic; relationship; structure activity ... See more keywords
Synthesis and structure-affinity relationship of chlorinated pyrrolidinone-bearing benzenesulfonamides as human carbonic anhydrase inhibitors.
Sign Up to like & getrecommendations! Published in 2020 at "Bioorganic chemistry"
DOI: 10.1016/j.bioorg.2020.103658
Abstract: A novel set of pyrrolidinone-based chlorinated benzenesulfonamide derivatives were synthesized and investigated for their binding affinity and selectivity against recombinant human carbonic anhydrases I-XIV using fluorescent thermal shift, p-nitrophenyl acetate hydrolysis and stopped-flow enzymatic inhibition… read more here.
Keywords: affinity relationship; human carbonic; affinity; pyrrolidinone ... See more keywords
Molecular modelling of two coordination states of Zn(II) ion at the active site of human carbonic anhydrase II
Sign Up to like & getrecommendations! Published in 2021 at "Chemical Physics"
DOI: 10.1016/j.chemphys.2021.111281
Abstract: Abstract Semi-empirical SCC-DFTB based QM modelling is reported for the active site of human carbonic anhydrase II (HCA II), an enzyme having a rate determining proton transfer reaction with a rate constant of 106 s−1. In… read more here.
Keywords: human carbonic; scc dftb; site; site human ... See more keywords
Quantum mechanical study of human carbonic anhydrase II in complex with polyamines as novel inhibitors: Kinetic and thermodynamic investigation
Sign Up to like & getrecommendations! Published in 2020 at "Computational and Theoretical Chemistry"
DOI: 10.1016/j.comptc.2020.112911
Abstract: Abstract Spermine and spermidine polyamines are investigated as a new class inhibitors of different carbonic anhydrase (CA) isoforms using DFT calculations. Our results indicate these two polyamines, inhibited the human carbonic anhydrase with very different… read more here.
Keywords: carbonic anhydrase; human carbonic; study human; quantum mechanical ... See more keywords
Pyridazinone-substituted benzenesulfonamides display potent inhibition of membrane-bound human carbonic anhydrase IX and promising antiproliferative activity against cancer cell lines.
Sign Up to like & getrecommendations! Published in 2019 at "European journal of medicinal chemistry"
DOI: 10.1016/j.ejmech.2019.02.044
Abstract: An expanded set of pyridazine-containing benzene sulfonamides was investigated for inhibition of four human carbonic anhydrase isoforms, which revealed a pronounced inhibition trend toward hCA IX, a cancer-related, membrane-bound isoform of the enzyme. Comparison of… read more here.
Keywords: carbonic anhydrase; human carbonic; membrane bound; inhibition ... See more keywords