Cytotoxic effect, enzyme inhibition, and in silico studies of some novel N-substituted sulfonyl amides incorporating 1,3,4-oxadiazol structural motif

Molecular Diversity, Journal Year: 2022, Volume and Issue: 26(5), P. 2825 - 2845

Published: April 9, 2022

Language: Английский

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Bioactivity, cytotoxicity, and molecular modeling studies of novel sulfonamides as dual inhibitors of carbonic anhydrases and acetylcholinesterase

Journal of Molecular Liquids, Journal Year: 2024, Volume and Issue: 410, P. 125558 - 125558

Published: July 18, 2024

Language: Английский

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Dynamics of small molecule-enzyme interactions: Novel benzenesulfonamides as multi-target agents endowed with inhibitory effects against some metabolic enzymes

Archives of Biochemistry and Biophysics, Journal Year: 2024, Volume and Issue: 759, P. 110099 - 110099

Published: July 14, 2024

Language: Английский

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Synthesis and characterization of novel acyl hydrazones derived from vanillin as potential aldose reductase inhibitors

Molecular Diversity, Journal Year: 2022, Volume and Issue: 27(4), P. 1713 - 1733

Published: Sept. 14, 2022

Language: Английский

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Novel bis-ureido-substituted sulfaguanidines and sulfisoxazoles as carbonic anhydrase and acetylcholinesterase inhibitors

Molecular Diversity, Journal Year: 2022, Volume and Issue: 27(4), P. 1735 - 1749

Published: Sept. 22, 2022

Language: Английский

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Assessment of hypolipidemic and anti‐inflammatory properties of walnut (Juglans regia) seed coat extract and modulates some metabolic enzymes activity in triton WR‐1339‐induced hyperlipidemia in rat kidney, liver, and heart

Journal of Molecular Recognition, Journal Year: 2022, Volume and Issue: 36(3)

Published: Dec. 20, 2022

Atherosclerosis and cognitive impairment are both influenced by hyperlipidemia. Due to their high margin of safety low cost, natural chemicals have recently attracted particular attention in the context treatment disease. Hence, purpose this study was investigate possible amendatory impact ethanol extract walnut (Juglans regia) seed coat (E-WSC) on some metabolic enzymes (glutathione reductase (GR), paraoxonase-1 (PON1), aldose (AR), sorbitol dehydrogenase (SDH), acetylcholinesterase (AChE), glutathione S-transferase (GST), butyrylcholinesterase (BChE)) activity liver, kidney, heart rats with Triton WR-1339-induced Rats were divided into five groups: control group, HL-Control group (Triton WR-1339 400 mg/kg, i.p administered group), E- WSC + 150 (150 mg/kg,o.d given 300 (E- o.d group) HL+ E-WSC (Group receiving 30 min prior administration i.p). In HL-Control, AR, SDH, BChE enzyme significantly increased all tissues compared control, while other studied decreased. The effects hyperlipidemia balance improved alterations investigated prevented E-WSC. As a result, promising compounds that can be used as adjuvant therapy disorders may found powder.

Language: Английский

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Novel acetic acid derivatives containing quinazolin‐4(3H)‐one ring: Synthesis, in vitro, and in silico evaluation of potent aldose reductase inhibitors

Drug Development Research, Journal Year: 2023, Volume and Issue: 84(2), P. 275 - 295

Published: Jan. 4, 2023

Abstract Aldose reductase (AR) is a crucial enzyme of the polyol pathway through which glucose metabolized under conditions hyperglycemia related to diabetes. A series novel acetic acid derivatives containing quinazolin‐4(3 H )‐one ring ( 1–22 ) was synthesized and tested for in vitro AR inhibitory effect. All target compounds exhibited nanomolar activity against enzyme, all displayed higher as compared reference drug epalrestat. Among them, Compound 19 , named 2‐(4‐[(2‐[(4‐methylpiperazin‐1‐yl)methyl]‐4‐oxoquinazolin‐3(4 )‐ylimino)methyl]phenoxy)acetic acid, strongest effect with K I value 61.20 ± 10.18 nM. Additionally, these were investigated L929, nontumoral fibroblast cells, MCF‐7, breast cancer cells using MTT assay. Compounds 16 showed lower toxicity normal L929 cells. The compounds’ absorption, distribution, metabolism, excretion properties also evaluated. Molecular docking simulations used look into possible binding mechanisms inhibitors AR.

Language: Английский

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A novel series of thiosemicarbazone hybrid scaffolds: Design, synthesis, DFT studies, metabolic enzyme inhibition properties, and molecular docking calculations

Journal of Molecular Structure, Journal Year: 2023, Volume and Issue: 1280, P. 135077 - 135077

Published: Feb. 1, 2023

Language: Английский

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New naphthoquinone thiazole hybrids as carbonic anhydrase and cholinesterase inhibitors: Synthesis, crystal structure, molecular docking, and acid dissociation constant

Journal of Molecular Structure, Journal Year: 2023, Volume and Issue: 1301, P. 137365 - 137365

Published: Dec. 19, 2023

Language: Английский

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Effects of Carnosic and Usnic Acid on Pentose Phosphate Pathway Enzymes: An Experimental and Molecular Docking Study

ChemistrySelect, Journal Year: 2024, Volume and Issue: 9(27)

Published: July 12, 2024

Abstract 6‐phosphogluconate dehydrogenase (6PGD) and Glucose‐6‐phosphate (G6PD) are crucial enzymes involved in generating cellular reducing power. Modifying the balance of reduced NADPH is considered essential for cancer advancement combined therapeutic strategies. Usnic acid (UA) a physiologically active dibenzofuran derivative. Carnosic (CA) phenolic diterpene that has been isolated from several plants. This work evaluated inhibitory effects UA CA on G6PD 6PGD by vitro tests. Molecular docking studies were employed to predict mechanisms inhibition. IC 50 values determined be 49.50 μM 77.00 G6PD, 69.30 57.75 6PGD, respectively. The K i 35.01±7.69 43.46±10.48 104.87±11.86 31.17±2.55 was identified as most effective inhibitor against whereas exhibited best activity with estimated binding energies −8.0 −7.8 kcal/mol, respectively, molecular studies. Ultimately, it shown results obtained silico methods study strongly associated. These chemicals′ structure might assist creating medications focus pentose phosphate pathway.

Language: Английский

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