Antioxidant, anti-acetylcholinesterase potentials, ADME estimations and molecular docking studies of green algae extracts DOI
Olgun Çirak, Adem Necip, Mesut Işık

и другие.

European Journal of Life Sciences, Год журнала: 2025, Номер 4(1), С. 24 - 35

Опубликована: Апрель 30, 2025

Algae have become the center of attention due to their strong antioxidants and enzyme-inhibitory activities. In this study, green algae (Enteromorpha linza) extracts obtained using acetone, hexane methanol were investigated. antioxidant properties, anti-acetylcholinesterase (AChE) potential, ADME estimations molecular docking analyses The best binding position was by sirsimaritin, daidzein, kaempferol, morin myricetin active site acetylcholinesterase receptor. Docking score values calculated as -10.0, -10.3, -9.9, -9.8 kcal/mol, respectively. Experimental analysis revealed that showed inhibitory activity against enzyme. Acetone extract good inhibition performance with IC50 0.0379 mg/ml 0.0414 mg/ml, value for determined 0.997 mg/ml. When results evaluated in terms both DPPH ABTS radical scavenging capacities, it acetone-based had a higher capacity (DPPH: 17.48%, ABTS: 83.58%) compared other solvents. general, examined can be used source natural agents beneficial human health.

Язык: Английский

Synthesis, Characterization, Pharmacological Screening, Molecular Docking, DFT, MESP, ADMET Studies of Transition Metal(II) Chelates of Bidentate Schiff Base Ligand DOI

Nikhil Dawar,

Jai Devi, Binesh Kumar

и другие.

Inorganic Chemistry Communications, Год журнала: 2023, Номер 151, С. 110567 - 110567

Опубликована: Фев. 28, 2023

Язык: Английский

Процитировано

71

Designing, characterization, biological, DFT, and molecular docking analysis for new FeAZD, NiAZD, and CuAZD complexes incorporating 1-(2-hydroxyphenylazo)− 2-naphthol (H2AZD) DOI
Hany M. Abd El‐Lateef, Mai M. Khalaf, Mahmoud Kandeel

и другие.

Computational Biology and Chemistry, Год журнала: 2023, Номер 105, С. 107908 - 107908

Опубликована: Июнь 21, 2023

Язык: Английский

Процитировано

45

Benzoin-tryptamine Schiff base-metal complexes: synthesis, DFT calculation and antimicrobial activities DOI
Kerem Buran

Journal of Molecular Structure, Год журнала: 2025, Номер unknown, С. 141499 - 141499

Опубликована: Янв. 1, 2025

Язык: Английский

Процитировано

2

Applications of metal complexes in analytical chemistry: A review article DOI
Rehab H. Elattar, Samah F. El‐Malla, Amira H. Kamal

и другие.

Coordination Chemistry Reviews, Год журнала: 2023, Номер 501, С. 215568 - 215568

Опубликована: Ноя. 24, 2023

Язык: Английский

Процитировано

33

A promising acetylcholinesterase and butyrylcholinesterase inhibitors: In vitro enzymatic and in silico molecular docking studies of benzothiazole-based oxadiazole containing imidazopyridine hybrid derivatives DOI Creative Commons
Rafaqat Hussain, Hayat Ullah, Shoaib Khan

и другие.

Results in Chemistry, Год журнала: 2024, Номер 7, С. 101503 - 101503

Опубликована: Янв. 1, 2024

Alzheimer's dementia (AD), the most prevalent neurodegenerative disorder adversely affecting elderly citizens worldwide, is an incurable with no effective medication found till date. Taking into account seriousness of this issue, imidazopyridine-based benzothiazole-oxadiazole hybrid derivatives were synthesized as anti-Alzheimer's agents. The efficacy these scaffolds was compared standard Donepezil (IC50 = 14.47 ± 1.20 μM for AChE and 19.90 2.40 BuChE). All novel exhibited biological activity covering a range IC50 6.70 1.65 41.65 7.20 6.40 1.80 44.65 7.40 BuChE. Analog 6p having BuChE lead candidate series maximum inhibition due to presence small sized highly electronegative fluoro moieties, inhibiting enzymes through hydrogen bonds. These interactions also studied in molecular docking investigations compounds. Furthermore, ADME analysis conducted study assisted drug likeness potent analogs. Synthetic structural confirmation achieved 13C NMR, 1H NMR HREI-MS.

Язык: Английский

Процитировано

17

Unlocking the biological potential of transition metal complexes with Thiosemicarbazone ligands: Insights from computational studies DOI Creative Commons
D. S. Khurana, Binesh Kumar, Jai Devi

и другие.

Heliyon, Год журнала: 2024, Номер 10(12), С. e33150 - e33150

Опубликована: Июнь 1, 2024

In the previous study, synthesis and characterization of 4-(3-fluorophenyl)-3-thiosemicarbazide benzaldehyde derivatives based thiosemicarbazone ligands their Co(II), Ni(II), Cu(II), Zn(II) complexes were carried out to evaluate malarial oxidant inflammatory inhibition abilities, demonstrating that these compounds have robust efficacy for ailments. present research, find a combating agent against breast cancer, tuberculosis, bacterial fungal ailments, tested through MTT, microplate alamar blue serial dilution protocols. ADMET DFT investigation analyzed highly bioactive (2, 7–10) give new insight about compound's reactivity, stability drug likeness properties. Furthermore, activity results shows ligand (2) its demonstrate greater compared (1) complexes. The Cu(II) (9) (10) observed as efficient cancer (MCF-7 cell line), TB (H37Rv strain), ailments in comparison standard drugs with 0.029 ± 0.001 μM IC50 value anticancer 0.0034 0.0017 μmol/mL MIC anti-tuberculosis activity. molecular docking investigation, various kind binding interactions lowest affinity (against 4RJ3 (−10.0 kcal/mol), 2VCJ (−7.9 kcal/mol)) (−7.8 −8.3 kcal/mol 5V3Y 3PTY protein) support bioactivity. This research highlights pharmaceutical importance transition metal having thiosemicarbazones, presenting significant approach discovery potent anti-infectious agent.

Язык: Английский

Процитировано

14

Bridging the gap between theory and treatment: Transition metal complexes as successful candidates in medicine DOI

Sara Abdolmaleki,

Alireza Aliabadi, Samad Khaksar

и другие.

Coordination Chemistry Reviews, Год журнала: 2025, Номер 531, С. 216477 - 216477

Опубликована: Фев. 8, 2025

Язык: Английский

Процитировано

2

Exploring novel ethyl carbazate salts of 2-thiobarbituric acid: DFT-based reactivity, antimicrobial docking, toxicological evaluation and nitrophenol reduction catalysis DOI

Sangeedha Appusamy,

Prabha Devi Balakrishnan,

Kaviya Rajendran

и другие.

Journal of Industrial and Engineering Chemistry, Год журнала: 2025, Номер unknown

Опубликована: Март 1, 2025

Язык: Английский

Процитировано

1

Synthesis of novel Schiff base metal complexes and their spectroscopic characterization, biological activity and molecular docking investigation DOI

Nageswara Reddy Gosu,

Venkatramana Losetty,

C. Hazarathaiah Yadav

и другие.

Journal of Molecular Structure, Год журнала: 2023, Номер 1282, С. 135161 - 135161

Опубликована: Фев. 15, 2023

Язык: Английский

Процитировано

21

Beyond silver sulfadiazine: A dive into more than 50 years of research and development on metal complexes of sulfonamides in medicinal inorganic chemistry DOI Open Access
Julia H. Bormio Nunes, Douglas Hideki Nakahata, Pedro P. Corbi

и другие.

Coordination Chemistry Reviews, Год журнала: 2023, Номер 490, С. 215228 - 215228

Опубликована: Май 22, 2023

Язык: Английский

Процитировано

20