Synthesis and Applications of Nitrogen-Containing Heterocycles as Antiviral Agents

Molecules, Journal Year: 2022, Volume and Issue: 27(9), P. 2700 - 2700

Published: April 22, 2022

Viruses have been a long-term source of infectious diseases that can lead to large-scale infections and massive deaths. Especially with the recent highly contagious coronavirus (COVID-19), antiviral drugs were developed nonstop deal emergence new viruses subject drug resistance. Nitrogen-containing heterocycles compatible structures properties exceptional biological activity for design agents. They provided broad spectrum interference against viral infection at various stages, from blocking early entry disrupting genome replication process by targeting different enzymes proteins viruses. This review focused on synthesis application agents derived nitrogen-containing heterocycles, such as indole, pyrrole, pyrimidine, pyrazole, quinoline, within last ten years. The synthesized scaffolds target HIV, HCV/HBV, VZV/HSV, SARS-CoV, COVID-19, influenza

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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Synthesis and examination of 1,2,4‐triazine‐sulfonamide hybrids as potential inhibitory drugs: Inhibition effects on AChE and GST enzymes in silico and in vitro conditions

Archiv der Pharmazie, Journal Year: 2024, Volume and Issue: 357(9)

Published: May 21, 2024

Abstract The crucial functions of acetylcholinesterase (AChE) in neurotransmission and glutathione S ‐transferase (GST) detoxification cellular protection underscore their pivotal roles as key enzymes, essential for maintaining the integrity neurological homeostasis. For this purpose, a series 1,2,4‐triazine‐sulfonamide hybrids ( 3a – r ) was successfully synthesized, subsequently evaluated inhibitory effects on AChE GST. investigation complemented by molecular docking studies ADMET (Absorption, Distribution, Metabolism, Excretion, Toxicity) predictions. synthesized demonstrated significant promise inhibiting both GST activities. Molecular analyses provided insights into interactions between compounds target shedding light potential binding modes amino acid residues involved. Furthermore, study benefited from predictions, offering valuable information compounds' pharmacokinetic properties toxicity. promising results obtained comprehensive approach highlight these effective inhibitors GST, paving way further development optimization pursuit novel therapeutic agents.

Language: Английский

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Pharmacological assessment of disulfide–triazine hybrids: synthesis, enzyme inhibition, and molecular docking study

Medicinal Chemistry Research, Journal Year: 2024, Volume and Issue: 33(7), P. 1205 - 1217

Published: June 14, 2024

Language: Английский

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Amino acid and Dicyclohexylurea Linked Pyrazole Analogues: Synthesis, In Silico and In Vitro Studies

ChemistrySelect, Journal Year: 2023, Volume and Issue: 8(6)

Published: Feb. 9, 2023

Abstract Pancreatic lipase (PL) inhibitors have received considerable attention by several researchers because of its ability to hydrolyse the triglycerides in small intestine. This study reports (i) synthesize new pyrazole derivatives binding amino acid and Dicyclohexylurea (DCU), (ii) their pharmaceutical potentials‐ via enzyme inhibitory activity towards PL antioxidant activities (using complementary methods including FCR, FRAP ORAC), (iii) possible interactions between compounds through silico studies, pharmacokinetic properties tetra‐substituted analogues PreADMET. Enzyme with IC 50 values were found be a high range 6.6±0.4 μM 13.5±0.2 μM. However, exhibited low affinities against FRAP, ORAC. The docking scores −7.3 −15.2 SAR analysis demonstrated highlight importance DCU linked scaffolds. Two web tools utilized for purpose predicting ADMET parameters drugs drug‐like analogues. These results suggested that potential as inhibitors.

Language: Английский

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Synthesis of 5-heptadecyl-4H-1,2,4-triazole incorporated indole moiety: Antiviral (SARS-CoV-2), antimicrobial, and molecular docking studies

Journal of Molecular Structure, Journal Year: 2024, Volume and Issue: 1303, P. 137517 - 137517

Published: Jan. 14, 2024

Language: Английский

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Tetra-substituted pyrazole analogues: synthesis, molecular docking, ADMET prediction, antioxidant and pancreatic lipase inhibitory activities

Medicinal Chemistry Research, Journal Year: 2022, Volume and Issue: 32(1), P. 189 - 204

Published: Dec. 22, 2022

Language: Английский

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A new class of anticancer activity with computational studies for a novel bioactive aminophosphonates based on pyrazole moiety

Scientific Reports, Journal Year: 2023, Volume and Issue: 13(1)

Published: Sept. 6, 2023

The present study involves synthesis a new series of α-aminophosphonates 2a-f and 4a-d derivatives in good yield with simple workup via Kabachnik-Fields reaction the presence lithium perchlorate as Lewis acid catalyst. All newly synthesized compounds were confirmed using various physical, spectroscopic, analytical data. vitro anticancer activities each compound evaluated against colorectal carcinoma Colon cancer (HCT-116) Epdermoid (HEP2) also Human lung fibroblast normal cell line (WI38) compared Doxorubicin. results showed that Compounds 2a, 4b 4d exhibited more potent inhibitory activity for Carcinoma doxorubicin. For colon cells 2d gave strongest among all Moreover, designed structures docked into active site VEGFR2 FGFR1 proteins. result reveals 2b have proteins indicating these substances might conceivably operate inhibitors hence take role binding interactions. 3D-QSAR models produced strong statistical since they defined by PLS factors 4 parameters R2, R2 CV, Stability, F-value, P-value, RMSE, Q2, Pearson-r.

Language: Английский

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Design, synthesis, characterization, molecular docking studies, molecular properties, toxicity, and bioactivity score prediction evaluation of novel chalcone-sulfonate hybrid derivatives

Journal of Molecular Structure, Journal Year: 2023, Volume and Issue: 1286, P. 135597 - 135597

Published: April 18, 2023

Language: Английский

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Synthesis and Biological Activities of Novel Quinazoline–Sulfonamide Derivatives Promising for the Treatment of Alzheimer's Disease

ChemistrySelect, Journal Year: 2025, Volume and Issue: 10(12)

Published: March 1, 2025

Abstract Novel quinazoline–sulfonamide derivatives ( 4a ‐ n ) were synthesized and evaluated for their enzyme inhibitory activities against acetylcholinesterase (AChE) butyrylcholinesterase (BChE) which are associated with Alzheimer's diseases (AD). The target quinazoline–sulfonamides obtained via one‐pot multicomponent reaction of 5‐amino‐1,3,4‐thiadiazole‐2‐sulfonamide 1 substituted benzaldehydes 2a i cyclohexane‐1,3‐diones 3 a , b under microwave irradiation. reactions performed using trifluoroacetic acid (TFA) as catalyst methanol–water mixture green solvent. All carried out in short period time the products moderate‐to‐high yields structures confirmed H‐NMR, 13 C‐NMR, Fourier‐transform infrared (FT‐IR), mass spectroscopic techniques. AChE BChE inhibitions from lowest Ki IC 50 values. K values compounds 4j 4d 4e 4m determined to be 4.84 ± 1.96 µM, 6.32 1.75 7.21 3.27 7.48 0.42 µM AChE, while 4f, 4.74 1.98 5.87 2.11 5.67 BChE, respectively. Finally, silico molecular docking interactions by AutoDock Vina software. low binding energy 4n enzymes indicated high effectiveness.

Language: Английский

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