Journal ArticleDOI
Investigation of in vitro and in silico effects of some novel carbazole Schiff bases on human carbonic anhydrase isoforms I and II.
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TLDR
Carbonic anhydrases (CAs, EC4.2.1) are metalloenzymes that catalyse reversible hydration reaction of carbon dioxide to bicarbonate and protons as mentioned in this paper.Abstract:
Carbonic anhydrases (CAs, EC4.2.1.1) are metalloenzymes that catalyse reversible hydration reaction of carbon dioxide to bicarbonate and protons. In recent years, there has been a great interest in...read more
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Enzymes inhibition profiles and antibacterial activities of benzylidenemalononitrile derivatives
TL;DR: Investigation of primer effects of presynthesized benzylidenemalononitrile derivatives on the enzymes via in vitro inhibition study, to clarify inhibition profiles of derivatives through molecular docking, and to examine their effects against some bacterial strains found them to be effective.
Journal ArticleDOI
In vitro and in silico interactions of antiulcer, glucocorticoids and urological drugs on human carbonic anhydrase I and II isozymes
TL;DR: This study clarified the primer effects of widely used drugs on the activity of human CA‐I and CA‐II enzymes and elucidate the inhibition mechanism through molecular docking studies and could contribute to the discovery of new drug candidates and as well as target proteins.
Journal ArticleDOI
Physical–chemical studies of new, versatile carbazole derivatives and zinc complexes: Their synthesis, investigation of in–vitro inhibitory effects on α –glucosidase and human erythrocyte carbonic anhydrase I and II isoenzymes
TL;DR: In this article , two novel zinc-phthalocyanine complexes (4a and 6a), containing carbazole rings, were investigated, and the inhibitory effects of these new Pcs and their ligands (3, 4, 5, and 6) on human erythrocytes carbonic anhydrase I and II (hCA II) isoenzymes were investigated.
References
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Journal ArticleDOI
Cleavage of Structural Proteins during the Assembly of the Head of Bacteriophage T4
TL;DR: Using an improved method of gel electrophoresis, many hitherto unknown proteins have been found in bacteriophage T4 and some of these have been identified with specific gene products.
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A rapid and sensitive method for the quantitation of microgram quantities of protein utilizing the principle of protein-dye binding
TL;DR: This assay is very reproducible and rapid with the dye binding process virtually complete in approximately 2 min with good color stability for 1 hr with little or no interference from cations such as sodium or potassium nor from carbohydrates such as sucrose.
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AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading
Oleg Trott,Arthur J. Olson +1 more
TL;DR: AutoDock Vina achieves an approximately two orders of magnitude speed‐up compared with the molecular docking software previously developed in the lab, while also significantly improving the accuracy of the binding mode predictions, judging by tests on the training set used in AutoDock 4 development.
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SwissADME: A free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules
TL;DR: The new SwissADME web tool is presented that gives free access to a pool of fast yet robust predictive models for physicochemical properties, pharmacokinetics, drug-likeness and medicinal chemistry friendliness, among which in-house proficient methods such as the BOILED-Egg, iLOGP and Bioavailability Radar are presented.
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Molecular properties that influence the oral bioavailability of drug candidates.
Daniel F. Veber,Stephen R. Johnson,Hung-Yuan Cheng,Brian R. Smith,Keith W. Ward,Kenneth D. Kopple +5 more
TL;DR: Reduced molecular flexibility, as measured by the number of rotatable bonds, and low polar surface area or total hydrogen bond count are found to be important predictors of good oral bioavailability, independent of molecular weight.