Synthesis of 1,2,3-triazole-linked silanes and exploration of their anti-bacterial potential via in-silico and in-vitro approach DOI
Gurjaspreet Singh, Yamini Thakur,

Swati Devi

et al.

Inorganica Chimica Acta, Journal Year: 2024, Volume and Issue: 577, P. 122490 - 122490

Published: Dec. 9, 2024

Language: Английский

Design, theoretical approaches and new framework of pyrazolo[3,4-d]pyrimidine as potent anticancer agents: Efficient synthesis, ADME-T and molecular docking DOI Creative Commons

Peduri Suresh Reddy,

T. Chandra Sekhar,

P. Thriveni

et al.

Results in Chemistry, Journal Year: 2025, Volume and Issue: 14, P. 102093 - 102093

Published: Feb. 1, 2025

Language: Английский

Citations

1
Green synthesis, characterization, in silico molecular docking and biological evaluation of imidazolylchalcones as promising fungicide/s and nematicide/s DOI Creative Commons
Rakesh Kumar, Parshant Kaushik,

Kailashpati Tripathi

et al.

BMC Chemistry, Journal Year: 2025, Volume and Issue: 19(1)

Published: April 29, 2025

Chalcones are known for their broad biological activities, which can be enhanced by incorporating heterocyclic moieties. Imidazole, recognized its diverse properties, was introduced into a series of imidazolylchalcone derivatives (3a-3o) synthesized via Claisen-Schmidt condensation benzaldehydes (2a-2o) and 4-(Imidazol-1-yl) acetophenone (1a) using ultrasonication as green method. These compounds were characterized spectroscopic techniques such 1H-NMR, 13C-NMR, LC-HRMS evaluated fungicidal nematicidal activity. Compound 3 h showed highest activity against Rhizoctonia solani (ED₅₀ = 0.69 μg/mL), outperforming commercial hexaconazole 3.57 μg/mL). 3d exhibited the Fusarium oxysporum 119.22 while 3f most effective Meloidogyne incognita (LC₅₀ 33.62 though less active than Velum Prime 3.46 The potential may results from interactions electronegative atom with enzyme sites hydrogen bonding. Docking studies fungal cutinase nematode acetylcholinesterase supported in-vitro findings. Promising will undergo further in-vivo field trials antifungal antinemic applications developed potent molecule.

Language: Английский

Citations

0
Synthesis, computational studies of new thymol derived chalcones and their benzotriazoles as antimicrobial agents DOI Creative Commons
Ajitha Kumari, Sushil Kumar

Letters in Drug Design & Discovery, Journal Year: 2025, Volume and Issue: unknown, P. 100029 - 100029

Published: May 1, 2025

Language: Английский

Citations

0
New Tetrazole-Annulated Pyrazolyl–Pyrimidine Derivatives as Antimycobacterial Targets: Design, Synthesis, Molecular Docking, and ADME Profiling DOI
Avanthi Basireddy, Sravanthi Basireddy, Tejeswara Rao Allaka

et al.

Russian Journal of General Chemistry, Journal Year: 2024, Volume and Issue: 94(8), P. 2008 - 2017

Published: Aug. 1, 2024

Language: Английский

Citations

1
Design, synthesis, in vitro and in silico studies of 1,2,3-triazole incorporated tetrazoles as potent antitubercular agents DOI

Venkata Krishna Kishore Narkedimilli,

Tejeswara Rao Allaka,

Ramesh Balli

et al.

Journal of Molecular Structure, Journal Year: 2024, Volume and Issue: 1327, P. 141242 - 141242

Published: Dec. 27, 2024

Language: Английский

Citations

0
Design, Synthesis of 3‐(Aryl)‐1‐(2‐p‐tolylthiazol‐4‐yl)prop‐2‐en‐1‐ones as Alpha(α)‐Amylase Inhibitors DOI
Hafsa Iqbal, Muhammad Haroon, Tashfeen Akhtar

et al.

Chemistry & Biodiversity, Journal Year: 2024, Volume and Issue: 21(9)

Published: July 2, 2024

α-Amylase inhibition is vital in controlling diabetic complications. Herein, we have synthesized a hybrid scaffold based on thiazole-chalcone to access α-amylase inhbition. The proposed structures were verified with spectroscopic techniques (UV-Vis., FT-IR,

Language: Английский

Citations

0
Natural Products‐Based Anticancer Agents: Synthesis and Anticancer Activities of Funtumine Amide/sulfonamide Derivatives DOI

Lang Wu,

Xin Xiang, Long Zhang

et al.

Chemistry & Biodiversity, Journal Year: 2024, Volume and Issue: unknown

Published: Oct. 9, 2024

Abstract Funtumine is a pregnene‐type steroidal alkaloid exhibiting moderate anticancer activity. To discover novel natural product‐based drugs, series of funtumine amide/sulfonamide derivatives were papered and identified using spectroscopic techniques. Additionally, the structures compounds 2j , 3a 4k further confirmed through X‐ray diffraction analysis. Biological activity experiments conducted against three cancer cell lines revealed that several synthesized demonstrated inhibition activities comparable to or exceeding those commercial agent, 5‐Fluorouracil. Especially compound 4i notably strong growth inhibitory effect on HePG2 (IC 50 =14.89 μ M) HCT116 =15.67 lines, while minimal cytotoxicity towards human normal BEAS‐2B cells. Preliminary structure‐activity relationships (SARs) analysis indicated conversion carbonyl group at C‐20 position hydroxyl could yield more potent compounds.

Language: Английский

Citations

0
Synthesis of 1,2,3-triazole-linked silanes and exploration of their anti-bacterial potential via in-silico and in-vitro approach DOI
Gurjaspreet Singh, Yamini Thakur,

Swati Devi

et al.

Inorganica Chimica Acta, Journal Year: 2024, Volume and Issue: 577, P. 122490 - 122490

Published: Dec. 9, 2024

Language: Английский

Citations

0