Detalhe da pesquisa
1.
Structural Basis of the Binding Mode of the Antineoplastic Compound Motixafortide (BL-8040) in the CXCR4 Chemokine Receptor.
Int J Mol Sci
; 24(5)2023 Feb 23.
Artigo
em Inglês
| MEDLINE | ID: mdl-36901829
2.
Theoretical Study of the Structural Stability, Chemical Reactivity, and Protein Interaction for NMP Compounds as Modulators of the Endocannabinoid System.
Molecules
; 27(2)2022 Jan 09.
Artigo
em Inglês
| MEDLINE | ID: mdl-35056729
3.
Analysis of the Gas Phase Acidity of Substituted Benzoic Acids Using Density Functional Concepts.
Molecules
; 25(7)2020 Apr 02.
Artigo
em Inglês
| MEDLINE | ID: mdl-32252296
4.
Synthesis, Crystal Structure, and Computational Methods of Vanadium and Copper Compounds as Potential Drugs for Cancer Treatment.
Molecules
; 25(20)2020 Oct 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-33066356
5.
Experimental and DFT Study of the Photoluminescent Green Emission Band of Halogenated (-F, -Cl, and -Br) Imines.
Molecules
; 24(18)2019 Sep 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-31514351
6.
Theoretical and experimental spectroscopic analysis of cyano-substituted styrylpyridine compounds.
Int J Mol Sci
; 14(2): 4005-29, 2013 Feb 18.
Artigo
em Inglês
| MEDLINE | ID: mdl-23429190
7.
Interaction of copper potential metallodrugs with TMPRSS2: A comparative study of docking tools and its implications on COVID-19.
Front Chem
; 11: 1128859, 2023.
Artigo
em Inglês
| MEDLINE | ID: mdl-36778030
8.
Conceptual DFT, QTAIM, and Molecular Docking Approaches to Characterize the T-Type Calcium Channel Blocker Anandamide.
Front Chem
; 10: 920661, 2022.
Artigo
em Inglês
| MEDLINE | ID: mdl-35910732
9.
Tris(2-Pyridylmethylamine)V(O)2 Complexes as Counter Ions of Diprotonated Decavanadate Anion: Potential Antineoplastic Activity.
Front Chem
; 10: 830511, 2022.
Artigo
em Inglês
| MEDLINE | ID: mdl-35252118
10.
Mannich bases of hydroxycoumarins: synthesis, DFT/QTAIM computational study and assessment of biological activity.
RSC Adv
; 11(50): 31260-31271, 2021 Sep 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-35496885
11.
Oxidovanadium(V) complexes as promising anticancer photosensitizers.
J Inorg Biochem
; 203: 110862, 2020 02.
Artigo
em Inglês
| MEDLINE | ID: mdl-31683130
12.
Inhibitory mechanism of 17ß-aminoestrogens in the formation of Aß aggregates.
J Mol Model
; 25(8): 229, 2019 Jul 18.
Artigo
em Inglês
| MEDLINE | ID: mdl-31321557
13.
Hyperconjugation enhances electrophilic addition to monocyclic monoterpenes: a Fukui function perspective.
J Mol Model
; 24(10): 300, 2018 Sep 29.
Artigo
em Inglês
| MEDLINE | ID: mdl-30269163
14.
Pharmacological and Toxicological Threshold of Bisammonium Tetrakis 4-(N,N-Dimethylamino)pyridinium Decavanadate in a Rat Model of Metabolic Syndrome and Insulin Resistance.
Bioinorg Chem Appl
; 2018: 2151079, 2018.
Artigo
em Inglês
| MEDLINE | ID: mdl-30026756
15.
Cis-trans isomerism in a square-planar platinum(II) complex bearing bulky fluorinated phosphane ligands.
Acta Crystallogr C Struct Chem
; 72(Pt 4): 268-73, 2016 Apr.
Artigo
em Inglês
| MEDLINE | ID: mdl-27045175
16.
Antioxidative stress effect of epicatechin and catechin induced by Aß25-35 in rats and use of the electrostatic potential and the Fukui function as a tool to elucidate specific sites of interaction.
Neuropeptides
; 59: 89-95, 2016 Oct.
Artigo
em Inglês
| MEDLINE | ID: mdl-27118677
17.
Epimerization of C-22 in (25R)- and (25S)-sapogenins.
Steroids
; 93: 60-7, 2015 Jan.
Artigo
em Inglês
| MEDLINE | ID: mdl-25449764
18.
Comparative theoretical study of the UV/Vis absorption spectra of styrylpyridine compounds using TD-DFT calculations.
J Mol Model
; 19(5): 2015-26, 2013 May.
Artigo
em Inglês
| MEDLINE | ID: mdl-23053012