Detalles de la búsqueda
1.
Identification of potential inhibitors against E.coli via novel approaches based on deep learning and quantum mechanics-based atomistic investigations.
Arch Biochem Biophys
; 747: 109761, 2023 Oct 01.
Artículo
en Inglés
| MEDLINE | ID: mdl-37734644
2.
Evaluation of mechanical features and antibacterial potential of fluoroquinolone against ß-ketoacyl-ACP synthases (FabB, FabF & FabH) via computational approaches.
Arch Biochem Biophys
; 744: 109674, 2023 08.
Artículo
en Inglés
| MEDLINE | ID: mdl-37419193
3.
Synthesis, biochemical characterization and in silico investigation of 3-(butylamino)-4-phenoxy-5-sulfamoylbenzoic acid derivatives: dual action mode inhibitors of urease and virulent bacterial stains.
Biochem J
; 479(19): 2035-2048, 2022 10 14.
Artículo
en Inglés
| MEDLINE | ID: mdl-36111588
4.
Synthesis, kinetic studies and in-silico investigations of novel quinolinyl-iminothiazolines as alkaline phosphatase inhibitors.
J Enzyme Inhib Med Chem
; 38(1): 2163394, 2023 Dec.
Artículo
en Inglés
| MEDLINE | ID: mdl-36629454
5.
Pharmacophore-Based Virtual Screening and In-Silico Explorations of Biomolecules (Curcumin Derivatives) of Curcuma longa as Potential Lead Inhibitors of ERBB and VEGFR-2 for the Treatment of Colorectal Cancer.
Molecules
; 28(10)2023 May 12.
Artículo
en Inglés
| MEDLINE | ID: mdl-37241785
6.
Design, synthesis, biochemical and in silico characterization of novel naphthalene-thiourea conjugates as potential and selective inhibitors of alkaline phosphatase.
Med Chem Res
; 32(6): 1077-1086, 2023.
Artículo
en Inglés
| MEDLINE | ID: mdl-37305207
7.
4-Phthalimidobenzenesulfonamide Derivatives as Acetylcholinesterase and Butyrylcholinesterase Inhibitors: DFTs, 3D-QSAR, ADMET, and Molecular Dynamics Simulation.
Neurodegener Dis
; 22(3-4): 122-138, 2022.
Artículo
en Inglés
| MEDLINE | ID: mdl-36288689
8.
Exploring ibuprofen derivatives as α-glucosidase and lipoxygenase inhibitors: Cytotoxicity and in silico studies.
Arch Pharm (Weinheim)
; 355(8): e2200013, 2022 Aug.
Artículo
en Inglés
| MEDLINE | ID: mdl-35532320
9.
Analysis of 1-Aroyl-3-[3-chloro-2-methylphenyl] Thiourea Hybrids as Potent Urease Inhibitors: Synthesis, Biochemical Evaluation and Computational Approach.
Int J Mol Sci
; 23(19)2022 Oct 01.
Artículo
en Inglés
| MEDLINE | ID: mdl-36232944
10.
Acetophenone-Based 3,4-Dihydropyrimidine-2(1H)-Thione as Potential Inhibitor of Tyrosinase and Ribonucleotide Reductase: Facile Synthesis, Crystal Structure, In-Vitro and In-Silico Investigations.
Int J Mol Sci
; 23(21)2022 Oct 29.
Artículo
en Inglés
| MEDLINE | ID: mdl-36361953
11.
Synthesis, Biological Evaluation, and Molecular Dynamics of Carbothioamides Derivatives as Carbonic Anhydrase II and 15-Lipoxygenase Inhibitors.
Molecules
; 27(24)2022 Dec 09.
Artículo
en Inglés
| MEDLINE | ID: mdl-36557863
12.
Discovery of Phenylcarbamoylazinane-1,2,4-Triazole Amides Derivatives as the Potential Inhibitors of Aldo-Keto Reductases (AKR1B1 & AKRB10): Potential Lead Molecules for Treatment of Colon Cancer.
Molecules
; 27(13)2022 Jun 21.
Artículo
en Inglés
| MEDLINE | ID: mdl-35807227
13.
Deep Learning and Structure-Based Virtual Screening for Drug Discovery against NEK7: A Novel Target for the Treatment of Cancer.
Molecules
; 27(13)2022 Jun 25.
Artículo
en Inglés
| MEDLINE | ID: mdl-35807344
14.
Exploring 2-Tetradecanoylimino-3-aryl-4-methyl-1,3-thiazolines Derivatives as Alkaline Phosphatase Inhibitors: Biochemical Evaluation and Computational Analysis.
Molecules
; 27(19)2022 Oct 10.
Artículo
en Inglés
| MEDLINE | ID: mdl-36235300
15.
Identification of NSAIDs as lipoxygenase inhibitors through highly sensitive chemiluminescence method, expression analysis in mononuclear cells and computational studies.
Bioorg Chem
; 110: 104818, 2021 05.
Artículo
en Inglés
| MEDLINE | ID: mdl-33784531
16.
Probing the high potency of pyrazolyl pyrimidinetriones and thioxopyrimidinediones as selective and efficient non-nucleotide inhibitors of recombinant human ectonucleotidases.
Bioorg Chem
; 88: 102893, 2019 07.
Artículo
en Inglés
| MEDLINE | ID: mdl-30986550
17.
Distinctive inhibition of alkaline phosphatase isozymes by thiazol-2-ylidene-benzamide derivatives: Functional insights into their anticancer role.
J Cell Biochem
; 119(8): 6501-6513, 2018 08.
Artículo
en Inglés
| MEDLINE | ID: mdl-29363794
18.
4-Aminopyridine based amide derivatives as dual inhibitors of tissue non-specific alkaline phosphatase and ecto-5'-nucleotidase with potential anticancer activity.
Bioorg Chem
; 76: 237-248, 2018 02.
Artículo
en Inglés
| MEDLINE | ID: mdl-29197225
19.
Tricyclic coumarin sulphonate derivatives with alkaline phosphatase inhibitory effects: in vitro and docking studies.
J Enzyme Inhib Med Chem
; 33(1): 479-484, 2018 Dec.
Artículo
en Inglés
| MEDLINE | ID: mdl-29390901
20.
Pluronic-Based Mixed Polymeric Micelles Enhance the Therapeutic Potential of Curcumin.
AAPS PharmSciTech
; 19(6): 2719-2739, 2018 Aug.
Artículo
en Inglés
| MEDLINE | ID: mdl-29978290