Cu(II)-Catalyzed Synthesis of Pyrazolo[3,4-b]pyridine Derivatives and Their Potential Antibacterial and Cytotoxic Activities with Molecular Docking, DFT Calculation, and SwissADME Analysis DOI Creative Commons

Velmurugan Loganathan,

Anis Ahamed, Akbar Idhayadhulla

et al.

ACS Omega, Journal Year: 2024, Volume and Issue: 10(1), P. 1643 - 1656

Published: Dec. 25, 2024

The present work focuses on a newly synthesized pyrazolo[3,4-b]pyridine prepared by formal [3 + 3] cycloaddition using copper(II) acetylacetonate as the catalyst; efficient and effective mild reactions with high yields were obtained this method. compounds identified FT-IR, 1H 13C NMR, mass spectra (m/z) analyses. (2a–l) screened for several in vitro silico activities. Compound 2g showed impressive inhibitory activities against methicillin-resistant Staphylococcus aureus (MIC: 2 μg/mL), vancomycin-resistant Enterococci 8 piperacillin-resistant Pseudomonas aeruginosa, extended-spectrum beta-lactamase-producing Escherichia coli 4 μg/mL) compared to positive control, ciprofloxacin. Compared standard doxorubicin, compound had higher efficacy HepG2 cancer cell line, GI50 value of 0.01 μM. highly active was investigated molecular docking, density functional theory calculations (DFT), SwissADME physicochemical properties. docking score (−8.5 vs −7.3 −10.0 −8.4 kcal/mol). In 2g, energy gap 0.17 eV, determined DFT calculations. properties all SwissADME. Overall, exhibited promising antibacterial cytotoxic

Language: Английский

Exploring the Potential Biological Activities of Pyrazole-Based Schiff Bases as Anti-Diabetic, Anti-Alzheimer’s, Anti-Inflammatory, and Cytotoxic Agents: In Vitro Studies with Computational Predictions DOI Creative Commons
Ahmed M. Naglah, Abdulrahman A. Almehizia, Asma S. Al‐Wasidi

et al.

Pharmaceuticals, Journal Year: 2024, Volume and Issue: 17(5), P. 655 - 655

Published: May 17, 2024

In this innovative research, we aim to reveal pyrazole-based Schiff bases as new multi-target agents. context, re-synthesized three sets of bases, 5a–f, 6a–f, and 7a–f, evaluate their biological applications. The data from in vitro assays (including antioxidant scavenging activities, anti-diabetes, anti-Alzheimer’s, anti-inflammatory properties) the 7a–f showed that six 5a, 5d, 5e, 5f, 7a, 7f possess highest properties among compounds evaluated. cytotoxicity against lung (A549) colon (Caco-2) human cancer types, well normal (WI-38) cell lines, was investigation demonstrated 7a are active cells, while two 5e exhibited towards cells. Additionally, enzymatic activities caspase-3 Bcl-2 were Furthermore, assessed silico absorption, distribution, metabolism, toxicity (ADMT) more potent bases. After modifying structures plan further extend studies future.

Language: Английский

Citations

9
Synthesis, antimicrobial, antioxidant, tyrosinase inhibitory activities, and computational studies of novel chromen[2,3-c]pyrazole derivatives DOI

Velmurugan Loganathan,

Arunadevi Mani,

Akbar Idhayadhulla

et al.

Molecular Diversity, Journal Year: 2024, Volume and Issue: unknown

Published: Dec. 2, 2024

Language: Английский

Citations

4
Azithromycin mediated Copper nanocatalysis (Azi-Cu-Nps): Synthesis of Anthraquinone connected Xanthenes deri vatives and their antioxidant, antityrosinase, and cytotoxic activities DOI

Keerthana Selvaraj,

Velmurugan Loganathan,

Anis Ahamed

et al.

Journal of Molecular Structure, Journal Year: 2025, Volume and Issue: unknown, P. 141447 - 141447

Published: Jan. 1, 2025

Language: Английский

Citations

0
Synthesis of chitosan and carboxymethyl cellulose connect flavonoid (CH-Fla-CMC) composite and their investigation of antioxidant, cytotoxicity activities DOI
Anis Ahamed,

Velmurugan Loganathan,

Janani Mullaivendhan

et al.

International Journal of Biological Macromolecules, Journal Year: 2025, Volume and Issue: unknown, P. 140081 - 140081

Published: Jan. 1, 2025

Language: Английский

Citations

0
Phenolic compound derived from Enteromorpha intestinalis and their bioactivity against bacterial pathogens DOI Creative Commons
Paramasivam Deepak, Balamuralikrishnan Balasubramanian,

Ashraf Atef Hatamleh

et al.

Journal of King Saud University - Science, Journal Year: 2024, Volume and Issue: 36(8), P. 103342 - 103342

Published: July 8, 2024

The purpose of the study was to assess a phenolic compound that extracted from brown seaweed Enteromorpha intestinalis (Linn.), Nees (1820) for its antibacterial activities on different bacterial pathogens fish illnesses. Hexane and methanol were utilized extract bioactive compounds seaweed. Phytochemical analysis methnaolic extracts have revealed presence carbohydrates glycosides, saponins, alkaloids, amino acids, flavonoids, fixed oil fat, phenol compounds, tannins, steroids. fish, including Providencia vermicola, Aeromonas hydrophila, Vibrio harveyi, caviae, targeted assessment. Among them, methanolic crude fraction-1 E. shown maximum activity against A. hydrophila (22 ± 0.13 33 0.56 µg/mL). Column chromatography employed isolate effective fraction, while FT-IR HPLC characterization. phytochemical confirmed various in both extracts. demonstrated efficacy beside tested pathogens. functional groups associated with polymeric structures extracts, alcohols, phenols, aromatics, alkyl halides, aliphatic amines, alkynes, alkenes. Overall, exhibited significant as result chemicals are present. provides valuable baseline data, emphasizing need further research towards developing drug formulations.

Language: Английский

Citations

1
Synthesis of 4-Hydroxy Coumarin Hybrid with 2H-Thiopyran and Imidazolidine-2,4-Dione Derivatives and the Investigation of their Antimicrobial, Anticoagulant and Cytotoxic Activities, and Molecular Docking DOI

Velmurugan Loganathan,

Arunadevi Mani,

Anis Ahamed

et al.

Chemistry Africa, Journal Year: 2024, Volume and Issue: unknown

Published: Nov. 22, 2024

Language: Английский

Citations

0
(+)-O,O′-Dibenzoyl-D-tartaric acid Catalysis Mediated Synthesis of 1,6-Dihydropyridine-3-carboxamide Derivatives via Formal Cycloaddition Reaction and their Evolution of Biological activities, DFT calculation and Molecular Docking Studies DOI

Velmurugan Loganathan,

Arunadevi Mani,

Anis Ahamed

et al.

Journal of Molecular Structure, Journal Year: 2024, Volume and Issue: unknown, P. 141175 - 141175

Published: Dec. 1, 2024

Language: Английский

Citations

0
Cu(II)-Catalyzed Synthesis of Pyrazolo[3,4-b]pyridine Derivatives and Their Potential Antibacterial and Cytotoxic Activities with Molecular Docking, DFT Calculation, and SwissADME Analysis DOI Creative Commons

Velmurugan Loganathan,

Anis Ahamed, Akbar Idhayadhulla

et al.

ACS Omega, Journal Year: 2024, Volume and Issue: 10(1), P. 1643 - 1656

Published: Dec. 25, 2024

The present work focuses on a newly synthesized pyrazolo[3,4-b]pyridine prepared by formal [3 + 3] cycloaddition using copper(II) acetylacetonate as the catalyst; efficient and effective mild reactions with high yields were obtained this method. compounds identified FT-IR, 1H 13C NMR, mass spectra (m/z) analyses. (2a–l) screened for several in vitro silico activities. Compound 2g showed impressive inhibitory activities against methicillin-resistant Staphylococcus aureus (MIC: 2 μg/mL), vancomycin-resistant Enterococci 8 piperacillin-resistant Pseudomonas aeruginosa, extended-spectrum beta-lactamase-producing Escherichia coli 4 μg/mL) compared to positive control, ciprofloxacin. Compared standard doxorubicin, compound had higher efficacy HepG2 cancer cell line, GI50 value of 0.01 μM. highly active was investigated molecular docking, density functional theory calculations (DFT), SwissADME physicochemical properties. docking score (−8.5 vs −7.3 −10.0 −8.4 kcal/mol). In 2g, energy gap 0.17 eV, determined DFT calculations. properties all SwissADME. Overall, exhibited promising antibacterial cytotoxic

Language: Английский

Citations

0