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1.
Design and synthesis of novel JNK inhibitors targeting liver pyruvate kinase for the treatment of non-alcoholic fatty liver disease and hepatocellular carcinoma.
Bioorg Chem
; 147: 107425, 2024 Jun.
Artículo
en Inglés
| MEDLINE | ID: mdl-38714117
2.
New spiro-indeno[1,2-b]quinoxalines clubbed with benzimidazole scaffold as CDK2 inhibitors for halting non-small cell lung cancer; stereoselective synthesis, molecular dynamics and structural insights.
J Enzyme Inhib Med Chem
; 38(1): 2281260, 2023 Dec.
Artículo
en Inglés
| MEDLINE | ID: mdl-37994663
3.
Identification of Selective BRD9 Inhibitor via Integrated Computational Approach.
Int J Mol Sci
; 23(21)2022 Nov 04.
Artículo
en Inglés
| MEDLINE | ID: mdl-36362300
4.
Designing Functionally Substituted Pyridine-Carbohydrazides for Potent Antibacterial and Devouring Antifungal Effect on Multidrug Resistant (MDR) Strains.
Molecules
; 28(1)2022 Dec 26.
Artículo
en Inglés
| MEDLINE | ID: mdl-36615406
5.
Protonation states at different pH, conformational changes and impact of glycosylation in synapsin Ia.
Phys Chem Chem Phys
; 23(31): 16718-16729, 2021 Aug 12.
Artículo
en Inglés
| MEDLINE | ID: mdl-34318818
6.
Probing CAS database as prospective antiviral agents against SARS-CoV-2 main protease.
J Mol Struct
; 1231: 129953, 2021 May 05.
Artículo
en Inglés
| MEDLINE | ID: mdl-33500591
7.
Phenylpyrazalopyrimidines as Tyrosine Kinase Inhibitors: Synthesis, Antiproliferative Activity, and Molecular Simulations.
Molecules
; 25(9)2020 May 02.
Artículo
en Inglés
| MEDLINE | ID: mdl-32370213
8.
Synthesis of a New Class of Spirooxindole-Benzo[b]Thiophene-Based Molecules as Acetylcholinesterase Inhibitors.
Molecules
; 25(20)2020 Oct 13.
Artículo
en Inglés
| MEDLINE | ID: mdl-33066293
9.
5-Acetyl-6-methyl-4-aryl-3,4-dihydropyrimidin-2(1H)-ones: As potent urease inhibitors; synthesis, in vitro screening, and molecular modeling study.
Bioorg Chem
; 76: 37-52, 2018 02.
Artículo
en Inglés
| MEDLINE | ID: mdl-29125971
10.
3D-QSAR Studies on Barbituric Acid Derivatives as Urease Inhibitors and the Effect of Charges on the Quality of a Model.
Int J Mol Sci
; 17(5)2016 Apr 30.
Artículo
en Inglés
| MEDLINE | ID: mdl-27144563
11.
Oxadiazole Derivatives of Diclofenac as an Anti-proliferative Agent for B-cell Non-Hodgkin Lymphoma: An In vitro and In Silico Studies.
Med Chem
; 2024 Jan 25.
Artículo
en Inglés
| MEDLINE | ID: mdl-38279758
12.
Indenoquinoxaline-phenylacrylohydrazide hybrids as promising drug candidates for the treatment of type 2 diabetes: In vitro and in silico evaluation of enzyme inhibition and antioxidant activity.
Int J Biol Macromol
; 263(Pt 2): 129517, 2024 Apr.
Artículo
en Inglés
| MEDLINE | ID: mdl-38266833
13.
Exploring pyrrolidinyl-spirooxindole natural products as promising platforms for the synthesis of novel spirooxindoles as EGFR/CDK2 inhibitors for halting breast cancer cells.
Front Chem
; 12: 1364378, 2024.
Artículo
en Inglés
| MEDLINE | ID: mdl-38487783
14.
Epigenetic modulation by targeting bromodomain containing protein 9 (BRD9): Its therapeutic potential and selective inhibition.
Int J Biol Macromol
; 230: 123428, 2023 Mar 01.
Artículo
en Inglés
| MEDLINE | ID: mdl-36709803
15.
Multicomponent diastereoselective synthesis of tetrahydropyridines as α-amylase and α-glucosidase enzymes inhibitors.
Future Med Chem
; 15(15): 1343-1368, 2023 08.
Artículo
en Inglés
| MEDLINE | ID: mdl-37650736
16.
Discovery of drug targets and therapeutic agents based on drug repositioning to treat lung adenocarcinoma.
Biomed Pharmacother
; 161: 114486, 2023 May.
Artículo
en Inglés
| MEDLINE | ID: mdl-36906970
17.
Unraveling the versatility of human serum albumin - A comprehensive review of its biological significance and therapeutic potential.
Curr Res Struct Biol
; 6: 100114, 2023.
Artículo
en Inglés
| MEDLINE | ID: mdl-38111902
18.
Synthesis, crystal structure, DFT, Hirshfeld surface analysis, energy frameworks and in-Silico drug-targeting PFKFB3 kinase of novel triazolequinoxalin derivative (TZQ) as a therapeutic Strategy against cancer.
Heliyon
; 9(11): e21312, 2023 Nov.
Artículo
en Inglés
| MEDLINE | ID: mdl-37920528
19.
Thiazole inhibitors of α-glucosidase: Positional isomerism modulates selectivity, enzyme binding and potency of inhibition.
Comput Biol Chem
; 98: 107647, 2022 Jun.
Artículo
en Inglés
| MEDLINE | ID: mdl-35248917
20.
Theoretical investigation of selective ligand binding mode of galanin receptors.
J Biomol Struct Dyn
; 40(23): 12964-12974, 2022.
Artículo
en Inglés
| MEDLINE | ID: mdl-34632940