Detalles de la búsqueda
1.
Adsorption Features of Tetrahalomethanes (CX4; X = F, Cl, and Br) on ß12 Borophene and Pristine Graphene Nanosheets: A Comparative DFT Study.
Molecules
; 28(14)2023 Jul 18.
Artículo
en Inglés
| MEDLINE | ID: mdl-37513348
2.
Pyronaridine as a Bromodomain-Containing Protein 4-N-Terminal Bromodomain (BRD4-BD1) Inhibitor: In Silico Database Mining, Molecular Docking, and Molecular Dynamics Simulation.
Molecules
; 28(15)2023 Jul 28.
Artículo
en Inglés
| MEDLINE | ID: mdl-37570684
3.
Naturally occurring plant-based anticancerous candidates as prospective ABCG2 inhibitors: an in silico drug discovery study.
Mol Divers
; 26(6): 3255-3277, 2022 Dec.
Artículo
en Inglés
| MEDLINE | ID: mdl-35224675
4.
Exploring Natural Product Activity and Species Source Candidates for Hunting ABCB1 Transporter Inhibitors: An In Silico Drug Discovery Study.
Molecules
; 27(10)2022 May 12.
Artículo
en Inglés
| MEDLINE | ID: mdl-35630581
5.
Lattice-charge imbalance and redox catalysis over perovskite-type ferrite- and manganite-based mixed oxides as studied by XRD, FTIR, UV-Vis DRS, and XPS.
Sci Rep
; 13(1): 7453, 2023 May 08.
Artículo
en Inglés
| MEDLINE | ID: mdl-37156861
6.
In-Silico Mining of the Toxins Database (T3DB) towards Hunting Prospective Candidates as ABCB1 Inhibitors: Integrated Molecular Docking and Lipid Bilayer-Enhanced Molecular Dynamics Study.
Pharmaceuticals (Basel)
; 16(7)2023 Jul 18.
Artículo
en Inglés
| MEDLINE | ID: mdl-37513931
7.
SuperNatural inhibitors to reverse multidrug resistance emerged by ABCB1 transporter: Database mining, lipid-mediated molecular dynamics, and pharmacokinetics study.
PLoS One
; 18(7): e0288919, 2023.
Artículo
en Inglés
| MEDLINE | ID: mdl-37494356
8.
On the Use of Graphene Nanosheets for Drug Delivery: A Case Study of Cisplatin and Some of Its Analogs.
Pharmaceutics
; 15(6)2023 Jun 01.
Artículo
en Inglés
| MEDLINE | ID: mdl-37376088
9.
Adsorption of Favipiravir on pristine graphene nanosheets as a drug delivery system: a DFT study.
RSC Adv
; 13(26): 17465-17475, 2023 Jun 09.
Artículo
en Inglés
| MEDLINE | ID: mdl-37304808
10.
Potential drug candidates as P-glycoprotein inhibitors to reverse multidrug resistance in cancer: an in silico drug discovery study.
J Biomol Struct Dyn
; 41(23): 13977-13992, 2023.
Artículo
en Inglés
| MEDLINE | ID: mdl-36883864
11.
In silico drug discovery of SIRT2 inhibitors from natural source as anticancer agents.
Sci Rep
; 13(1): 2146, 2023 02 07.
Artículo
en Inglés
| MEDLINE | ID: mdl-36750593
12.
Adsorption Behavior of Toxic Carbon Dichalcogenides (CX2; X = O, S, or Se) on ß12 Borophene and Pristine Graphene Sheets: A DFT Study.
Nanomaterials (Basel)
; 12(19)2022 Sep 29.
Artículo
en Inglés
| MEDLINE | ID: mdl-36234539
13.
Borophene and Pristine Graphene 2D Sheets as Potential Surfaces for the Adsorption of Electron-Rich and Electron-Deficient π-Systems: A Comparative DFT Study.
Nanomaterials (Basel)
; 12(6)2022 Mar 21.
Artículo
en Inglés
| MEDLINE | ID: mdl-35335843
14.
σ-Hole and LP-Hole Interactions of Pnicogen···Pnicogen Homodimers under the External Electric Field Effect: A Quantum Mechanical Study.
ACS Omega
; 7(13): 11264-11275, 2022 Apr 05.
Artículo
en Inglés
| MEDLINE | ID: mdl-35415328
15.
In Silico Targeting Human Multidrug Transporter ABCG2 in Breast Cancer: Database Screening, Molecular Docking, and Molecular Dynamics Study.
Mol Inform
; 41(2): e2060039, 2022 02.
Artículo
en Inglés
| MEDLINE | ID: mdl-34491628
16.
External electric field effects on the σ-hole and lone-pair hole interactions of group V elements: a comparative investigation.
RSC Adv
; 11(7): 4022-4034, 2021 Jan 19.
Artículo
en Inglés
| MEDLINE | ID: mdl-35424345
17.
Prospective Drug Candidates as Human Multidrug Transporter ABCG2 Inhibitors: an In Silico Drug Discovery Study.
Cell Biochem Biophys
; 79(2): 189-200, 2021 Jun.
Artículo
en Inglés
| MEDLINE | ID: mdl-33954893
18.
Influence of phosphonation and phosphation on surface acid-base and morphological properties of CaO as investigated by in situ FTIR spectroscopy and electron microscopy.
J Colloid Interface Sci
; 303(1): 9-17, 2006 Nov 01.
Artículo
en Inglés
| MEDLINE | ID: mdl-16934283
19.
Chemical and morphological consequences of acidification of pure, phosphated, and phosphonated CaO: influence of CO2 adsorption.
Langmuir
; 24(13): 6745-53, 2008 Jun 01.
Artículo
en Inglés
| MEDLINE | ID: mdl-18512873
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