Discovery of novel benzenesulfonamides incorporating 1,2,3-triazole scaffold as carbonic anhydrase I, II, IX, and XII inhibitors

International Journal of Biological Macromolecules, Год журнала: 2023, Номер 239, С. 124232 - 124232

Опубликована: Март 29, 2023

Язык: Английский

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Novel beta-lactam substituted benzenesulfonamides: in vitro enzyme inhibition, cytotoxic activity and in silico interactions

Journal of Biomolecular Structure and Dynamics, Год журнала: 2023, Номер 42(12), С. 6359 - 6377

Опубликована: Авг. 4, 2023

In this study, a library of twelve beta-lactam-substituted benzenesulfonamides (

Язык: 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, Год журнала: 2023, Номер 1280, С. 135077 - 135077

Опубликована: Фев. 1, 2023

Язык: 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, Год журнала: 2023, Номер 1301, С. 137365 - 137365

Опубликована: Дек. 19, 2023

Язык: Английский

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Novel asymmetric biscarbothioamides as Alzheimer's disease associated cholinesterase inhibitors: synthesis, biological activity, and molecular docking studies

New Journal of Chemistry, Год журнала: 2024, Номер 48(24), С. 10979 - 10989

Опубликована: Янв. 1, 2024

Investigating innovative frameworks for addressing Alzheimer's disease is a challenging goal. In this specific scenario, selection of asymmetric biscarbothioamide derivatives (3a–l) with different substitutions has been carefully formulated and successfully synthesized.

Язык: Английский

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Autophagy, Pyroptosis and Ferroptosis are Rising Stars in the Pathogenesis of Diabetic Nephropathy

Diabetes Metabolic Syndrome and Obesity, Год журнала: 2024, Номер Volume 17, С. 1289 - 1299

Опубликована: Март 1, 2024

Abstract: Diabetic nephropathy (DN) is one of the most common microvascular complications in diabetes and can potentially develop into end-stage renal disease. Its pathogenesis complex not fully understood. Podocytes, glomerular endothelial cells (GECs), mesangial (GMCs) tubular epithelial (TECs) play important roles normal function glomerulus tubules, their injury involved progression DN. Although our understanding mechanisms leading to DN has substantially improved, we still need find more effective therapeutic targets. Autophagy, pyroptosis ferroptosis are programmed cell death processes that associated with inflammation closely related a variety diseases. Recently, growing number studies have reported autophagy, regulate podocytes, GECs, GMCs TECs. This review highlights contributions pyroptosis, these cells, offering potential targets for treatment. Keywords: diabetic nephropathy, ferroptosis,

Язык: Английский

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Investigations into the anti-inflammatory and anti-diabetic activity of newly synthesized derivatives of 4AP2BOB utilizing DFT, molecular docking and spectroscopic characterization

Journal of Molecular Liquids, Год журнала: 2024, Номер 396, С. 123983 - 123983

Опубликована: Янв. 7, 2024

Язык: Английский

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Novel Dibenzoazepine-Substituted Triazole Hybrids as Cholinesterase and Carbonic Anhydrase Inhibitors and Anticancer Agents: Synthesis, Characterization, Biological Evaluation, and In Silico Studies

ACS Omega, Год журнала: 2024, Номер 9(47), С. 46860 - 46878

Опубликована: Ноя. 16, 2024

The new dibenzoazepine-substituted triazole hybrids (12–20) were designed by molecular hybridization approach and synthesized utilizing the Cu(I)-catalyzed click reaction. hybrid structures obtained in high yields (74–98%) with a simple two-step synthesis strategy fully characterized. These compounds assessed for their influence on various metabolic enzymes including human carbonic anhydrase isoenzymes (hCA I hCA II), acetylcholinesterase (AChE), butyrylcholinesterase (BChE). Ki values concerning I, II, AChE, BChE ranges 29.94–121.69, 17.72–89.42, 14.09–44.68, 1.15–48.82 nM, respectively. Compound 13 was 49.70-fold more active than tacrine (standard drug) 5.49-fold AChE. 14 4.16-fold acetazolamide 5.79-fold II. cytotoxic effects of products investigated triple-negative breast cancer cell lines. IC50 most effective calculated between 12.51 ± 1.92 18.07 2.14 μM MDA-MB-231 BT-549 cells. Molecular docking ADME predictions performed. Then, vitro analyzed dynamics (MD) simulation MM/GBSA calculation. Consequently, showed good cytotoxicity inhibition potential colony formation

Язык: Английский

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Analytic and In Silico Methods to Understand the Interactions between Dinotefuran and Haemoglobin

Chemistry & Biodiversity, Год журнала: 2024, Номер 21(8)

Опубликована: Июнь 5, 2024

This work lies in the growing concern over potential impacts of pesticides on human health and environment. Pesticides are extensively used to protect crops control pests, but their interaction with essential biomolecules like haemoglobin (Hb) remains poorly understood. Spectrofluorometric, electrochemical, silico investigations have been chosen as methods delve into this issue, they offer valuable insights molecular-level interactions between haemoglobin. The research aims address gaps knowledge contribute developing safer more sustainable pesticide practices. was studied by spectroscopic techniques (UV-Visible & Fluorescence), studies (molecular docking molecular dynamics simulations) electrochemical (cyclic voltammetry tafel). showed effective binding dinotefuran Hb which will cause toxicity human. formation a stable complex ofloxacin Haemoglobin shown via energy found be -5.37 kcal/mol. Further, simulations provide an insight for stability (Hb-dinotefuran) span 250 ns free -53.627 kJ/mol. cyclic tafel show effectively.

Язык: Английский

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Protective effect of bromelain on some metabolic enzyme activities in tyloxapol‐induced hyperlipidemic rats

Biotechnology and Applied Biochemistry, Год журнала: 2023, Номер 71(1), С. 17 - 27

Опубликована: Сен. 25, 2023

Abstract Elevation of one or more plasma lipids, such as phospholipids, cholesterol esters, cholesterol, and triglycerides, is known hyperlipidemia. In humans experimental animals, bromelain, the primary active ingredient isolated from pineapple stems, has several positive effects, including anti‐tumor growth, anticoagulation, anti‐inflammation. Hence, purpose this study was to determine possible protective impact bromelain on some metabolic enzymes (paraoxonase‐1, glutathione S ‐transferase, reductase, sorbitol dehydrogenase [SDH], aldose reductase [AR], butyrylcholinesterase [BChE], acetylcholinesterase [AChE]), activity in heart, kidney, liver rats with tyloxapol‐induced Rats were divided into three groups: control group, HL‐control group (tyloxapol 400 mg/kg, i.p. administered group), HL+bromelain (group receiving 250 mg/kg/o.d. prior administration tyloxapol i.p.). BChE, SDH, AR enzyme activities significantly increased all tissues compared control, whereas other studied decreased. Bromelain had a regulatory effect activities. conclusion, these results prove that new mediator decreases

Язык: Английский

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