Detalles de la búsqueda
1.
Investigating the potent TOPO IIα inhibitors in breast cancer through the study of computational drug discovery research approaches.
Mol Divers
; 2024 May 21.
Artículo
en Inglés
| MEDLINE | ID: mdl-38773015
2.
HPLC-DAD-MS Characterization, Antioxidant Activity, α-amylase Inhibition, Molecular Docking, and ADMET of Flavonoids from Fenugreek Seeds.
Molecules
; 28(23)2023 Nov 27.
Artículo
en Inglés
| MEDLINE | ID: mdl-38067527
3.
Anxiolytic-like Effect of Quercetin Possibly through GABA Receptor Interaction Pathway: In Vivo and In Silico Studies.
Molecules
; 27(21)2022 Oct 22.
Artículo
en Inglés
| MEDLINE | ID: mdl-36363979
4.
Synthesis, inhibition properties against xanthine oxidase and molecular docking studies of dimethyl N-benzyl-1H-1,2,3-triazole-4,5-dicarboxylate and (N-benzyl-1H-1,2,3-triazole-4,5-diyl)dimethanol derivatives.
Bioorg Chem
; 108: 104654, 2021 03.
Artículo
en Inglés
| MEDLINE | ID: mdl-33493930
5.
Diterpenes/Diterpenoids and Their Derivatives as Potential Bioactive Leads against Dengue Virus: A Computational and Network Pharmacology Study.
Molecules
; 26(22)2021 Nov 11.
Artículo
en Inglés
| MEDLINE | ID: mdl-34833913
6.
Target prediction, computational identification, and network-based pharmacology of most potential phytoconstituent in medicinal leaves of Justicia adhatoda against SARS-CoV-2.
J Biomol Struct Dyn
; 41(9): 3926-3942, 2023 06.
Artículo
en Inglés
| MEDLINE | ID: mdl-35412437
7.
New tamoxifen analogs for breast cancer therapy: synthesis, aromatase inhibition and in silico studies.
J Biomol Struct Dyn
; 41(22): 12798-12807, 2023.
Artículo
en Inglés
| MEDLINE | ID: mdl-36762686
8.
Investigation of berberine and its derivatives in Sars Cov-2 main protease structure by molecular docking, PROTOX-II and ADMET methods: in machine learning and in silico study.
J Biomol Struct Dyn
; 41(19): 9366-9381, 2023 11.
Artículo
en Inglés
| MEDLINE | ID: mdl-36369803
9.
Superior photo-induced antibacterial/antibiofilm activities of ZnPcs/TiO2 and computational simulation studies.
J Mater Chem B
; 11(27): 6361-6371, 2023 07 12.
Artículo
en Inglés
| MEDLINE | ID: mdl-37309912
10.
A subunit vaccine against pneumonia: targeting Streptococcus pneumoniae and Klebsiella pneumoniae.
Netw Model Anal Health Inform Bioinform
; 12(1): 21, 2023.
Artículo
en Inglés
| MEDLINE | ID: mdl-37096010
11.
Antiemetic effects of sclareol, possibly through 5-HT3 and D2 receptor interaction pathways: In-vivo and in-silico studies.
Food Chem Toxicol
; 181: 114068, 2023 Nov.
Artículo
en Inglés
| MEDLINE | ID: mdl-37863383
12.
Phytochemical constituents of Inula britannica as potential inhibitors of dihydrofolate reductase: A strategic approach against shigellosis.
J Biomol Struct Dyn
; 40(22): 11932-11947, 2022.
Artículo
en Inglés
| MEDLINE | ID: mdl-34424817
13.
Computer-based identification of potential compounds from Salviae miltiorrhizae against Neirisaral adhesion A regulatory protein.
J Biomol Struct Dyn
; 40(10): 4301-4313, 2022 07.
Artículo
en Inglés
| MEDLINE | ID: mdl-33289608
14.
A detailed understanding of the COL10A1 and SOX9 genes interaction based on potentially damaging mutations in gastric cancer using computational techniques.
J Biomol Struct Dyn
; 40(22): 11533-11544, 2022.
Artículo
en Inglés
| MEDLINE | ID: mdl-34380365
15.
Design of a multi-epitope vaccine against SARS-CoV-2: immunoinformatic and computational methods.
RSC Adv
; 12(7): 4288-4310, 2022 Jan 28.
Artículo
en Inglés
| MEDLINE | ID: mdl-35425433
16.
Identification of naphthyridine and quinoline derivatives as potential Nsp16-Nsp10 inhibitors: a pharmacoinformatics study.
J Biomol Struct Dyn
; 40(9): 3899-3906, 2022 06.
Artículo
en Inglés
| MEDLINE | ID: mdl-33252031
17.
Combination of QSAR, molecular docking, molecular dynamic simulation and MM-PBSA: analogues of lopinavir and favipiravir as potential drug candidates against COVID-19.
J Biomol Struct Dyn
; 40(8): 3711-3730, 2022 05.
Artículo
en Inglés
| MEDLINE | ID: mdl-33251975
18.
GC-MS analysis, and evaluation of protective effect of Piper chaba stem bark against paracetamol-induced liver damage in Sprague-Dawley rats: Possible defensive mechanism by targeting CYP2E1 enzyme through in silico study.
Life Sci
; 309: 121044, 2022 Nov 15.
Artículo
en Inglés
| MEDLINE | ID: mdl-36208657
19.
Recognizing novel drugs against Keap1 in Alzheimer's disease using machine learning grounded computational studies.
Front Mol Neurosci
; 15: 1036552, 2022.
Artículo
en Inglés
| MEDLINE | ID: mdl-36561895
20.
Understanding the mechanism of amygdalin's multifunctional anti-cancer action using computational approach.
J Biomol Struct Dyn
; 39(5): 1600-1610, 2021 Mar.
Artículo
en Inglés
| MEDLINE | ID: mdl-32107968