0000000000615138

AUTHOR

Dmitrijs Stepanovs

showing 16 related works from this author

3H-1,2-benzoxathiepine 2,2-dioxides: a new class of isoform-selective carbonic anhydrase inhibitors

2017

Abstract A new chemotype with carbonic anhydrase (CA, EC 4.2.1.1) inhibitory action has been discovered, the homo-sulfocoumarins (3H-1,2-benzoxathiepine 2,2-dioxides) which have been designed considering the (sulfo)coumarins as lead molecules. An original synthetic strategy of a panel of such derivatives led to compounds with a unique inhibitory profile and very high selectivity for the inhibition of the tumour associated (CA IX/XII) over the cytosolic (CA I/II) isoforms. Although the CA inhibition mechanism with these new compounds is unknown for the moment, we hypothesize that it may be similar to that of the sulfocoumarins, i.e. hydrolysis to the corresponding sulfonic acids which therea…

Gene isoformStereochemistryHigh selectivityInhibitory postsynaptic potential01 natural sciencesStructure-Activity RelationshipHydrolysisCarbonic anhydraseDrug DiscoveryHumansMoleculeCarbonic Anhydrase InhibitorsCarbonic AnhydrasesPharmacologyCarbonic anhydraseDose-Response Relationship DrugMolecular Structurebiology010405 organic chemistryChemistrylcsh:RM1-950Active sitehomo-sulfocoumarinsGeneral MedicineCyclic S-Oxides0104 chemical sciencesinhibitor010404 medicinal & biomolecular chemistryCytosollcsh:Therapeutics. PharmacologyBiochemistrysulfocoumarinbiology.proteinResearch PaperJournal of Enzyme Inhibition and Medicinal Chemistry
researchProduct

Crystallographic Study of Solvates and Solvate Hydrates of an Antibacterial Furazidin

2022

In this study we present a detailed crystallographic analysis of multiple solvates of an antibacterial furazidin. Solvate formation of furazidin was investigated by crystallizing it from pure solvents and solvent-water mixtures. Crystal structure analysis of the obtained solvates and computational calculations were used to rationalize the main factors leading to the intermolecular interactions present in the solvate crystal structures as well as resulting in formation of the observed solvates and solvate hydrates. Furazidin forms pure solvates and solvate hydrates with solvents having large hydrogen bond acceptor propensity as well as with a hydrogen bond donor and acceptor formic acid. In …

General Materials ScienceGeneral ChemistryCondensed Matter PhysicsCrystal Growth & Design
researchProduct

CCDC 2122147: Experimental Crystal Structure Determination

2022

Related Article: Liāna Orola, Anatoly Mishnev, Dmitrijs Stepanovs, Agris Bērziņš|2022|ChemRxiv|||doi:10.26434/chemrxiv-2022-rb0xk

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters1-{[3-(5-nitrofuran-2-yl)prop-2-en-1-ylidene]amino}imidazolidine-24-dione NN-dimethylacetamide solvateExperimental 3D Coordinates
researchProduct

CCDC 2121374: Experimental Crystal Structure Determination

2022

Related Article: Liāna Orola, Anatoly Mishnev, Dmitrijs Stepanovs, Agris Bērziņš|2022|ChemRxiv|||doi:10.26434/chemrxiv-2022-rb0xk

1-{[3-(5-nitrofuran-2-yl)prop-2-en-1-ylidene]amino}imidazolidine-24-dione dimethyl sulfoxide solvateSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 2222725: Experimental Crystal Structure Determination

2022

Related Article: Lia̅na Orola, Anatoly Mishnev, Dmitrijs Stepanovs, Agris Be̅rziņš|2022|Cryst.Growth Des.|23|873|doi:10.1021/acs.cgd.2c01114

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters1-{[3-(5-nitrofuran-2-yl)prop-2-en-1-ylidene]amino}imidazolidine-24-dione dimethyl sulfoxideExperimental 3D Coordinates
researchProduct

CCDC 2222724: Experimental Crystal Structure Determination

2022

Related Article: Lia̅na Orola, Anatoly Mishnev, Dmitrijs Stepanovs, Agris Be̅rziņš|2022|Cryst.Growth Des.|23|873|doi:10.1021/acs.cgd.2c01114

1-{[3-(5-nitrofuran-2-yl)prop-2-en-1-ylidene]amino}imidazolidine-24-dione dimethyl sulfoxide solvateSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 2122145: Experimental Crystal Structure Determination

2022

Related Article: Liāna Orola, Anatoly Mishnev, Dmitrijs Stepanovs, Agris Bērziņš|2022|ChemRxiv|||doi:10.26434/chemrxiv-2022-rb0xk

Space GroupCrystallographyCrystal SystemCrystal Structure1-{[3-(5-nitrofuran-2-yl)prop-2-en-1-ylidene]amino}imidazolidine-24-dione 14-dioxane solvate monohydrateCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 2122135: Experimental Crystal Structure Determination

2022

Related Article: Liāna Orola, Anatoly Mishnev, Dmitrijs Stepanovs, Agris Bērziņš|2022|ChemRxiv|||doi:10.26434/chemrxiv-2022-rb0xk

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters1-{[3-(5-nitrofuran-2-yl)prop-2-en-1-ylidene]amino}imidazolidine-24-dione formic acid solvate monohydrateExperimental 3D Coordinates
researchProduct

CCDC 1526002: Experimental Crystal Structure Determination

2017

Related Article: Aleksandrs Pustenko, Dmitrijs Stepanovs, Raivis Žalubovskis, Daniela Vullo, Andris Kazaks, Janis Leitans, Kaspars Tars, Claudiu T. Supuran|2017|J.Enzyme Inhib.Med.Chem.|32|767|doi:10.1080/14756366.2017.1316720

7-nitro-3H-12-benzoxathiepine 22-dioxideSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 2122164: Experimental Crystal Structure Determination

2022

Related Article: Liāna Orola, Anatoly Mishnev, Dmitrijs Stepanovs, Agris Bērziņš|2022|ChemRxiv|||doi:10.26434/chemrxiv-2022-rb0xk

Space GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 928882: Experimental Crystal Structure Determination

2022

Related Article: Liāna Orola, Anatoly Mishnev, Dmitrijs Stepanovs, Agris Bērziņš|2022|ChemRxiv|||doi:10.26434/chemrxiv-2022-rb0xk

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters1-{[3-(5-nitrofuran-2-yl)prop-2-en-1-ylidene]amino}imidazolidine-24-dione formic acid solvateExperimental 3D Coordinates
researchProduct

CCDC 922708: Experimental Crystal Structure Determination

2022

Related Article: Liāna Orola, Anatoly Mishnev, Dmitrijs Stepanovs, Agris Bērziņš|2022|ChemRxiv|||doi:10.26434/chemrxiv-2022-rb0xk

1-{[3-(5-nitrofuran-2-yl)prop-2-en-1-ylidene]amino}imidazolidine-24-dione dimethyl sulfoxide solvateSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 2122176: Experimental Crystal Structure Determination

2022

Related Article: Liāna Orola, Anatoly Mishnev, Dmitrijs Stepanovs, Agris Bērziņš|2022|ChemRxiv|||doi:10.26434/chemrxiv-2022-rb0xk

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters1-{[3-(5-nitrofuran-2-yl)prop-2-en-1-ylidene]amino}imidazolidine-24-dione 14-dioxane solvateExperimental 3D Coordinates
researchProduct

CCDC 922164: Experimental Crystal Structure Determination

2022

Related Article: Liāna Orola, Anatoly Mishnev, Dmitrijs Stepanovs, Agris Bērziņš|2022|ChemRxiv|||doi:10.26434/chemrxiv-2022-rb0xk

1-{[3-(5-nitrofuran-2-yl)prop-2-en-1-ylidene]amino}imidazolidine-24-dione dimethyl sulfoxide solvateSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 2222740: Experimental Crystal Structure Determination

2022

Related Article: Lia̅na Orola, Anatoly Mishnev, Dmitrijs Stepanovs, Agris Be̅rziņš|2022|Cryst.Growth Des.|23|873|doi:10.1021/acs.cgd.2c01114

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters1-{[3-(5-nitrofuran-2-yl)prop-2-en-1-ylidene]amino}imidazolidine-24-dione formic acid solvateExperimental 3D Coordinates
researchProduct

CCDC 2121392: Experimental Crystal Structure Determination

2022

Related Article: Liāna Orola, Anatoly Mishnev, Dmitrijs Stepanovs, Agris Bērziņš|2022|ChemRxiv|||doi:10.26434/chemrxiv-2022-rb0xk

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters1-{[3-(5-nitrofuran-2-yl)prop-2-en-1-ylidene]amino}imidazolidine-24-dione NN-dimethylformamide solvateExperimental 3D Coordinates
researchProduct