Detalhe da pesquisa
1.
Neuroendocrine and cellular mechanisms in stress resilience: From hormonal influence in the CNS to mitochondrial dysfunction and oxidative stress.
J Cell Mol Med
; 28(7): e18220, 2024 Apr.
Artigo
em Inglês
| MEDLINE | ID: mdl-38509751
2.
Interplay of precision therapeutics and MD study: Calocybe indica's potentials against cervical cancer and its interaction with VEGF via octadecanoic acid.
J Cell Mol Med
; 28(8): e18302, 2024 Apr.
Artigo
em Inglês
| MEDLINE | ID: mdl-38652115
3.
Decoding dynamic interactions between EGFR-TKD and DAC through computational and experimental approaches: A novel breakthrough in lung melanoma treatment.
J Cell Mol Med
; 28(9): e18263, 2024 May.
Artigo
em Inglês
| MEDLINE | ID: mdl-38685671
4.
Targeted inhibition of colorectal cancer proliferation: The dual-modulatory role of 2,4-DTBP on anti-apoptotic Bcl-2 and Survivin proteins.
J Cell Mol Med
; 28(7): e18150, 2024 Apr.
Artigo
em Inglês
| MEDLINE | ID: mdl-38494866
5.
Investigation of the New Inhibitors by Sulfadiazine and Modified Derivatives of α-D-glucopyranoside for White Spot Syndrome Virus Disease of Shrimp by In Silico: Quantum Calculations, Molecular Docking, ADMET and Molecular Dynamics Study.
Molecules
; 27(12)2022 Jun 08.
Artigo
em Inglês
| MEDLINE | ID: mdl-35744817
6.
In silico and in vitro prediction of new synthesized N-heterocyclic compounds as anti-SARS-CoV-2.
Sci Rep
; 14(1): 1152, 2024 01 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-38212472
7.
Ligand-based drug design against Herpes Simplex Virus-1 capsid protein by modification of limonene through in silico approaches.
Sci Rep
; 14(1): 9828, 2024 04 29.
Artigo
em Inglês
| MEDLINE | ID: mdl-38684729
8.
Alkaloids as drug leads in Alzheimer's treatment: Mechanistic and therapeutic insights.
Brain Res
; 1834: 148886, 2024 Jul 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-38582413
9.
In-silico investigations on the anticancer activity of selected 2-aryloxazoline derivatives against breast cancer.
J Biomol Struct Dyn
; 41(17): 8392-8401, 2023.
Artigo
em Inglês
| MEDLINE | ID: mdl-36245134
10.
Comparative studies of Ag3PO4, Ag2CO3, and Ag3VO4 as photocatalyst for wastewater treatment: A first-principles calculation.
Heliyon
; 9(12): e22757, 2023 Dec.
Artigo
em Inglês
| MEDLINE | ID: mdl-38094073
11.
Anti-lung cancer drug discovery approaches by polysaccharides: an in silico study, quantum calculation and molecular dynamics study.
J Biomol Struct Dyn
; 41(14): 6616-6632, 2023.
Artigo
em Inglês
| MEDLINE | ID: mdl-35968631
12.
Synthesis, characterization, antibacterial activity of thiosemicarbazones derivatives and their computational approaches: Quantum calculation, molecular docking, molecular dynamic, ADMET, QSAR.
Heliyon
; 9(6): e16222, 2023 Jun.
Artigo
em Inglês
| MEDLINE | ID: mdl-37292281
13.
Analysis of Crystallographic Structures and Properties of Silver Nanoparticles Synthesized Using PKL Extract and Nanoscale Characterization Techniques.
ACS Omega
; 8(31): 28133-28142, 2023 Aug 08.
Artigo
em Inglês
| MEDLINE | ID: mdl-37576647
14.
A Computational Study on Selected Alkaloids as SARS-CoV-2 Inhibitors: PASS Prediction, Molecular Docking, ADMET Analysis, DFT, and Molecular Dynamics Simulations.
Biochem Res Int
; 2023: 9975275, 2023.
Artigo
em Inglês
| MEDLINE | ID: mdl-37181403
15.
Modified coptisine derivatives as an inhibitor against pathogenic Rhizomucor miehei, Mycolicibacterium smegmatis (Black Fungus), Monkeypox, and Marburg virus by molecular docking and molecular dynamics simulation-based drug design approach.
Front Pharmacol
; 14: 1140494, 2023.
Artigo
em Inglês
| MEDLINE | ID: mdl-37153804
16.
Mechanistic inhibition of Monkeypox and Marburg virus infection by O-rhamnosides and Kaempferol-o-rhamnosides derivatives: a new-fangled computational approach.
Front Cell Infect Microbiol
; 13: 1188763, 2023.
Artigo
em Inglês
| MEDLINE | ID: mdl-37293201
17.
Synthesis of New Derivatives of Benzylidinemalononitrile and Ethyl 2-Cyano-3-phenylacrylate: In Silico Anticancer Evaluation.
ACS Omega
; 8(29): 25817-25831, 2023 Jul 25.
Artigo
em Inglês
| MEDLINE | ID: mdl-37521603
18.
Anti-parasitic drug discovery against Babesia microti by natural compounds: an extensive computational drug design approach.
Front Cell Infect Microbiol
; 13: 1222913, 2023.
Artigo
em Inglês
| MEDLINE | ID: mdl-37662005
19.
A drug design strategy based on molecular docking and molecular dynamics simulations applied to development of inhibitor against triple-negative breast cancer by Scutellarein derivatives.
PLoS One
; 18(10): e0283271, 2023.
Artigo
em Inglês
| MEDLINE | ID: mdl-37824496
20.
Development of new bioactive molecules to treat breast and lung cancer with natural myricetin and its derivatives: A computational and SAR approach.
Front Cell Infect Microbiol
; 12: 952297, 2022.
Artigo
em Inglês
| MEDLINE | ID: mdl-36237438