Exploring the cytotoxicity and DNA binding studies of green synthesized europium stannate nanoparticle through experimental and computational approach DOI
M.S. Raghu,

S Bindu,

Amar Yasser Jassim

et al.

Materials Chemistry and Physics, Journal Year: 2024, Volume and Issue: unknown, P. 130327 - 130327

Published: Dec. 1, 2024

Language: Английский

Synthesis, anticancer and antioxidant activities of novel heterocyclic phenolic hydrazone based derivatives: Investigation of DFT calculation, molecular docking and drug-likeness studies DOI
Ai‐Ping Xing,

Pengbo Zhu,

Bin Zhang

et al.

Journal of Molecular Structure, Journal Year: 2024, Volume and Issue: 1319, P. 139523 - 139523

Published: July 31, 2024

Language: Английский

Citations

5
Pyrimidine-based dual-target inhibitors targeting epidermal growth factor receptor for overcoming drug resistance in cancer therapy(2006-present) DOI

Yufeng An,

Xinya Lv,

Shidi Xu

et al.

European Journal of Medicinal Chemistry, Journal Year: 2025, Volume and Issue: 286, P. 117268 - 117268

Published: Jan. 13, 2025

Language: Английский

Citations

0
Design, Synthesis, and Molecular Docking of Novel Benzothiazinone Derivatives as DprE1 Inhibitors with Potential Antitubercular Activities DOI
M.S. Raghu,

Amar Yasser Jassim,

K. Yogesh Kumar

et al.

Russian Journal of Bioorganic Chemistry, Journal Year: 2025, Volume and Issue: 51(1), P. 65 - 78

Published: Feb. 1, 2025

Language: Английский

Citations

0
Structure-Based Design of New LSD1/EGFRL858R/T790M Dual Inhibitors for Treating EGFR Mutant NSCLC Cancers DOI
Jingya Zhang, Pengxing He, Wenwen Wang

et al.

Journal of Medicinal Chemistry, Journal Year: 2025, Volume and Issue: unknown

Published: Feb. 27, 2025

Epigenetic changes, such as LSD1 dysregulation, contribute to acquired resistance in EGFR mutant NSCLCs and reduce the effectiveness of current therapeutics. To address challenges, we herein reported structure-based design new LSD1/EGFR dual inhibitors, which ZJY-54 represents shortlisted lead compound with high potency, selectivity, unique modes action (namely irreversibly binding but reversibly LSD1). effectively inhibited growth both parent- TKI-resistant NSCLC cells. In H1975 cells, induced accumulation H3K4me2 H3K9me2, well phosphorylation signaling. showed favorable PK profiles tumor xenograft model. best-in-class inhibitor warrants further preclinical development for treating NSCLCs. These findings highlight therapeutic potential inhibitors drug-resistant cancers where were dysregulated.

Language: Английский

Citations

0
Synthesis, Computational, DFT Calculations, Photophysical and Docking Studies of Novel Fluorescent Pyrimidine-Chlorothymol Hybrid as Potent Antimicrobial Agent DOI

S. Chandrasekhar,

B.S. Prathibha,

S Bindu

et al.

Journal of Fluorescence, Journal Year: 2025, Volume and Issue: unknown

Published: March 28, 2025

Language: Английский

Citations

0
HDAC6 mediates tumorigenesis during mitosis and the development of targeted deactivating agents DOI
Jie Peng, Hongyan Liu, Yujing Liu

et al.

Bioorganic Chemistry, Journal Year: 2024, Volume and Issue: 153, P. 107818 - 107818

Published: Sept. 10, 2024

Language: Английский

Citations

3
Pyrimidines: A New Versatile Molecule in the Drug Development Field, Scope, and Future Aspects DOI Creative Commons
Katharigatta N. Venugopala, Vinuta Kamat

Pharmaceuticals, Journal Year: 2024, Volume and Issue: 17(10), P. 1258 - 1258

Published: Sept. 24, 2024

Pyrimidine is a moiety that occurs in living organisms and has variety of significant biological properties pharmacology. Due to the easy handling synthesis, easily available precursor, less duration for reaction, not many technical skills are needed. All these factors attract chemists focus more on pyrimidines. Apart from synthesis applications pyrimidines, medicinal have gathered explore pyrimidine scaffolds due their interesting targeting various binding sites. This review delves into diverse activities compounds derived during year 2024. We attempted growing significance derivatives provide new path designing potent molecules.

Language: Английский

Citations

3
Synthesis, and molecular docking studies of novel 1,2,3-triazoles-linked pyrazole carboxamides as significant anti-microbial and anti-cancer agents DOI Creative Commons

Leila Kamrani Tamardash,

Mohammad Bakherad, Hamid Bakherad

et al.

Results in Chemistry, Journal Year: 2024, Volume and Issue: 11, P. 101842 - 101842

Published: Oct. 1, 2024

Language: Английский

Citations

3
Synthesis and histone deacetylases inhibitory activity of pyrimidine‐based 1,3,4‐oxadiazoles DOI

Virginija Jakubkienė,

I. Labalaukyte,

Markus Schweipert

et al.

Journal of Heterocyclic Chemistry, Journal Year: 2024, Volume and Issue: 61(9), P. 1426 - 1438

Published: July 9, 2024

Abstract The histone deacetylases (HDACs) are being explored as a promising therapeutic target for the treatment of various diseases. Here, synthesis series pyrimidine‐based 1,3,4‐oxadiazoles, in which oxadiazole scaffold is attached to pyrimidine ring via methyleneoxy spacer, described and their HDAC inhibitory activity studied. compounds were synthesized by sequence reactions involving O ‐alkylation 2‐(methylthio)pyrimidin‐4(3 H )‐ones with ethyl 2‐bromoethanoate followed oxidation 2‐methylthio group, displacement obtained 2‐methylsulfonyl group amines, hydrazinolysis (2‐amino‐substituted pyrimidin‐4‐yloxy)acetates give corresponding hydrazides cyclization under ‐ethyl xanthate or carbonyldiimidazole 1,3,4‐oxadiazole‐2(3 )‐thiones 1,3,4‐oxadiazol‐2(3 )‐one, correspondingly. In addition, two converted into ( N 3)‐morpholinomethyl derivatives Mannich reaction formaldehyde morpholine. yields intermediates ranged from moderate excellent. characterized 1 13 C NMR spectra HRMS data, purity was controlled TLC. 1,3,4‐oxadiazoles (18 compounds) tested inhibitors HDAC4 HDAC8 isoforms compared that Vorinostat. Most oxadiazolethiones containing methyl at position 6 moiety found be more selective towards HDAC8, while propyl active against HDAC4. Among compounds, 5‐((2‐(dibutylamino)‐6‐propylpyrimidin‐4‐yloxy)methyl)‐1,3,4‐oxadiazole‐2(3 )‐thione 48 ) have strongest isoform (IC 50 = 4.2 μM vs. IC 59 Vorinostat) 5‐((2‐(cyclopentylamino)‐6‐propylpyrimidin‐4‐yloxy)methyl)‐1,3,4‐oxadiazole‐2(3 most potent inhibitor 6.8 μM).

Language: Английский

Citations

0
Comparative analysis of RCC and PT Slabs underneath Lateral Loading: A Structural study using ETABS DOI Creative Commons

Koushal Dhamija,

Vegiraju Naresh Kumar Varma,

Manish Gupta

et al.

E3S Web of Conferences, Journal Year: 2024, Volume and Issue: 552, P. 01140 - 01140

Published: Jan. 1, 2024

ETABS software is used to analyze the structural response of reinforced concrete (RCC) and post-tensioned (PT) slabs under lateral loading. This study investigates RCC PT slabs’ behavior by using finite element analysis determine bending moments, shear forces, storey drift. Prestrassed display lower moments forces than slabs, demonstrating effectiveness prestressing in reducing requirements. A reduction drift also indicates improved resistance deformations slabs. In terms performance cost-effectiveness, offer potential benefits for constructing layouts construction, making them an attractive choice.

Language: Английский

Citations

0