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1.
Evaluation of in vitro effect, molecular docking, and molecular dynamics simulations of some dihydropyridine-class calcium channel blockers on human serum paraoxonase 1 (hPON1) enzyme activity.
Biotechnol Appl Biochem
; 70(5): 1707-1719, 2023 Oct.
Artículo
en Inglés
| MEDLINE | ID: mdl-37071114
2.
BTEAC Catalyzed Ultrasonic-Assisted Synthesis of Bromobenzofuran-Oxadiazoles: Unravelling Anti-HepG-2 Cancer Therapeutic Potential through In Vitro and In Silico Studies.
Int J Mol Sci
; 24(3)2023 Feb 03.
Artículo
en Inglés
| MEDLINE | ID: mdl-36769327
3.
Fluorescence labelled XT5 modified nano-capsules enable highly sensitive myeloma cells detection.
Nanotechnology
; 33(26)2022 Apr 08.
Artículo
en Inglés
| MEDLINE | ID: mdl-35325883
4.
Synthesis of novel carboxamide- and carbohydrazide-benzimidazoles as selective butyrylcholinesterase inhibitors.
Mol Divers
; 26(5): 2863-2876, 2022 Oct.
Artículo
en Inglés
| MEDLINE | ID: mdl-35780204
5.
Exploring theophylline-1,2,4-triazole tethered N-phenylacetamide derivatives as antimicrobial agents: unraveling mechanisms via structure-activity relationship, in vitro validation, and in silico insights.
Front Chem
; 12: 1372378, 2024.
Artículo
en Inglés
| MEDLINE | ID: mdl-38645776
6.
Triiodothyronine positively regulates endoplasmic reticulum-associated degradation (ERAD) and promotes androgenic signaling in androgen-dependent prostate cancer cells.
Cell Signal
; 109: 110745, 2023 09.
Artículo
en Inglés
| MEDLINE | ID: mdl-37271348
7.
Estrogens drive the endoplasmic reticulum-associated degradation and promote proto-oncogene c-Myc expression in prostate cancer cells by androgen receptor/estrogen receptor signaling.
J Cell Commun Signal
; 17(3): 793-811, 2023 Sep.
Artículo
en Inglés
| MEDLINE | ID: mdl-36696010
8.
Synthesis, characterization, antiproliferative activity, docking, and molecular dynamics simulation of new 1,3-dihydro-2H-benzimidazol-2-one derivatives.
J Biomol Struct Dyn
; : 1-13, 2023 Oct 03.
Artículo
en Inglés
| MEDLINE | ID: mdl-37787572
9.
1,25(OH)2 D3 induced vitamin D receptor signaling negatively regulates endoplasmic reticulum-associated degradation (ERAD) and androgen receptor signaling in human prostate cancer cells.
Cell Signal
; 103: 110577, 2023 Mar.
Artículo
en Inglés
| MEDLINE | ID: mdl-36567009
10.
Density functional modeling, and molecular docking with SARS-CoV-2 spike protein (Wuhan) and omicron S protein (variant) studies of new heterocyclic compounds including a pyrazoline nucleus.
J Biomol Struct Dyn
; 41(22): 12951-12965, 2023.
Artículo
en Inglés
| MEDLINE | ID: mdl-36709442
11.
Drug design of new therapeutic agents: molecular docking, molecular dynamics simulation, DFT and POM analyses of new Schiff base ligands and impact of substituents on bioactivity of their potential antifungal pharmacophore site.
J Biomol Struct Dyn
; 41(14): 6695-6708, 2023.
Artículo
en Inglés
| MEDLINE | ID: mdl-35968554
12.
Synthesis, Cytotoxic, and Computational Screening of Some Novel Indole-1,2,4-Triazole-Based S-Alkylated N-Aryl Acetamides.
Biomedicines
; 11(11)2023 Nov 16.
Artículo
en Inglés
| MEDLINE | ID: mdl-38002078
13.
An Exploration of the Inhibitory Mechanism of Rationally Screened Benzofuran-1,3,4-Oxadiazoles and-1,2,4-Triazoles as Inhibitors of NS5B RdRp Hepatitis C Virus through Pharmacoinformatic Approaches.
Biomedicines
; 11(11)2023 Nov 17.
Artículo
en Inglés
| MEDLINE | ID: mdl-38002085
14.
Homology modeling in drug discovery: Overview, current applications, and future perspectives.
Chem Biol Drug Des
; 93(1): 12-20, 2019 01.
Artículo
en Inglés
| MEDLINE | ID: mdl-30187647
15.
Three dimensional structure prediction of panomycocin, a novel Exo-ß-1,3-glucanase isolated from Wickerhamomyces anomalus NCYC 434 and the computational site-directed mutagenesis studies to enhance its thermal stability for therapeutic applications.
Comput Biol Chem
; 80: 270-277, 2019 Jun.
Artículo
en Inglés
| MEDLINE | ID: mdl-31054539
16.
In Vitro and in Silico Assessment of the Potential of Niaouli Essential Oil as a Quorum Sensing Inhibitor of Biofilm Formation and its Effects on Fibroblast Cell Viability
Braz. arch. biol. technol
; 64: e21200782, 2021. tab, graf
Artículo
en Inglés
|
LILACS-Express
| ID: biblio-1350252
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