Detalles de la búsqueda
1.
Synthesis and Computational Exploration of Morpholine Bearing Halogenated Sulfonamides as Potential Tyrosinase Inhibitors.
Chem Biodivers
; 20(9): e202300257, 2023 Sep.
Artículo
en Inglés
| MEDLINE | ID: mdl-37578300
2.
Exploring the inhibitory potential of novel piperidine-derivatives against main protease (Mpro) of SARS-CoV-2: A hybrid approach consisting of molecular docking, MD simulations and MMPBSA analysis.
J Mol Liq
; 382: 121904, 2023 Jul 15.
Artículo
en Inglés
| MEDLINE | ID: mdl-37151376
3.
Clinical tests accuracy in diagnosing subacromial impingement syndrome: A systematic review.
J Pak Med Assoc
; 73(4): 843-847, 2023 Apr.
Artículo
en Inglés
| MEDLINE | ID: mdl-37051997
4.
Isolation of Thioinosine and Butenolides from a Terrestrial Actinomycetes sp. GSCW-51 and Their in Silico Studies for Potential against SARS-CoV-2.
Chem Biodivers
; 19(4): e202100843, 2022 Apr.
Artículo
en Inglés
| MEDLINE | ID: mdl-35213767
5.
Synthesis, spectral characterization, crystal structure and computational investigation of 2-formyl-6-methoxy-3-carbethoxy quinoline as potential SARS-CoV inhibitor.
J Phys Chem Solids
; 170: 110886, 2022 Nov.
Artículo
en Inglés
| MEDLINE | ID: mdl-35847561
6.
A First-Principles Investigation on the Structural, Optoelectronic, and Thermoelectric Properties of Pyrochlore Oxides (La2Tm2O7 (Tm = Hf, Zr)) for Energy Applications.
Int J Mol Sci
; 23(23)2022 Dec 03.
Artículo
en Inglés
| MEDLINE | ID: mdl-36499593
7.
Chalcone Scaffolds Exhibiting Acetylcholinesterase Enzyme Inhibition: Mechanistic and Computational Investigations.
Molecules
; 27(10)2022 May 16.
Artículo
en Inglés
| MEDLINE | ID: mdl-35630658
8.
A Novel Method of Magnetic Nanoparticles Functionalized with Anti-Folate Receptor Antibody and Methotrexate for Antibody Mediated Targeted Drug Delivery.
Molecules
; 27(1)2022 Jan 01.
Artículo
en Inglés
| MEDLINE | ID: mdl-35011493
9.
PMMA/ABS/CoCl2 Composites for Pharmaceutical Applications: Thermal, Antimicrobial, Antibiofilm, and Antioxidant Studies.
Molecules
; 27(22)2022 Nov 08.
Artículo
en Inglés
| MEDLINE | ID: mdl-36431767
10.
Insighting isatin derivatives as potential antiviral agents against NSP3 of COVID-19.
Chem Zvesti
; 76(10): 6271-6285, 2022.
Artículo
en Inglés
| MEDLINE | ID: mdl-35757111
11.
Exploring the inhibitory potential of novel bioactive compounds from mangrove actinomycetes against nsp10 the major activator of SARS-CoV-2 replication.
Chem Zvesti
; 76(5): 3051-3064, 2022.
Artículo
en Inglés
| MEDLINE | ID: mdl-35103034
12.
Exploring the potential of novel phenolic compounds as potential therapeutic candidates against SARS-CoV-2, using quantum chemistry, molecular docking and dynamic studies.
Bioorg Med Chem Lett
; 43: 128079, 2021 07 01.
Artículo
en Inglés
| MEDLINE | ID: mdl-33940136
13.
Exploring the new potential antiviral constituents of Moringa oliefera for SARS-COV-2 pathogenesis: An in silico molecular docking and dynamic studies.
Chem Phys Lett
; 767: 138379, 2021 Mar 16.
Artículo
en Inglés
| MEDLINE | ID: mdl-33518774
14.
Experimental and computational study of naphthalimide derivatives: Synthesis, optical, nonlinear optical and antiviral properties.
Optik (Stuttg)
; 246: 167748, 2021 Nov.
Artículo
en Inglés
| MEDLINE | ID: mdl-34426709
15.
i-Propylammonium Lead Chloride Based Perovskite Photocatalysts for Depolymerization of Lignin Under UV Light.
Molecules
; 25(15)2020 Jul 31.
Artículo
en Inglés
| MEDLINE | ID: mdl-32752133
16.
Theoretical Study on Open-Shell Singlet Character and Second Hyperpolarizabilities in Cofacial π-Stacked Dimers Composed of Weak Open-Shell Antiaromatic Porphyrins.
Chemphyschem
; 19(21): 2863-2871, 2018 11 05.
Artículo
en Inglés
| MEDLINE | ID: mdl-30080316
17.
Stimulating intra- and intermolecular charge transfer and nonlinear optical response for biphenalenyl biradicaloid dimer under an external electric field.
Phys Chem Chem Phys
; 20(27): 18699-18706, 2018 Jul 11.
Artículo
en Inglés
| MEDLINE | ID: mdl-29956706
18.
How does hybrid bridging core modification enhance the nonlinear optical properties in donor-π-acceptor configuration? A case study of dinitrophenol derivatives.
J Comput Chem
; 36(2): 118-28, 2015 Jan 15.
Artículo
en Inglés
| MEDLINE | ID: mdl-25382405
19.
Diradical character and nonlinear optical properties of buckyferrocenes: focusing on the use of suitably modified fullerene fragments.
Phys Chem Chem Phys
; 17(8): 5805-16, 2015 Feb 28.
Artículo
en Inglés
| MEDLINE | ID: mdl-25628262
20.
Computational prediction for designing novel ketonic derivatives as potential inhibitors for breast cancer: A trade-off between drug likeness and inhibition potency.
Comput Biol Chem
; 109: 108020, 2024 Apr.
Artículo
en Inglés
| MEDLINE | ID: mdl-38286082