Detalhe da pesquisa
1.
Regiodivergent Synthesis of Methylene and Methyl Ring-Fused Isoquinolinones: Base-Promoted Isomerization of N-Allyl Amides.
J Org Chem
; 87(9): 5925-5937, 2022 05 06.
Artigo
em Inglês
| MEDLINE | ID: mdl-35404617
2.
Synthesis, crystal structure investigation and computational approach to discover potential hydrazide derivatives as a potent inhibitor of cyclooxygenase-2 enzyme.
J Biochem Mol Toxicol
; 36(8): e23082, 2022 Aug.
Artigo
em Inglês
| MEDLINE | ID: mdl-35435307
3.
Novel 3-chloro-6-nitro-1H-indazole derivatives as promising antileishmanial candidates: synthesis, biological activity, and molecular modelling studies.
J Enzyme Inhib Med Chem
; 37(1): 151-167, 2022 Dec.
Artigo
em Inglês
| MEDLINE | ID: mdl-34894940
4.
Synthesis, crystal structure, and a molecular modeling approach to identify effective antiviral hydrazide derivative against the main protease of SARS-CoV-2.
J Mol Struct
; 1265: 133391, 2022 Oct 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-35663190
5.
Synthesis, spectroscopy, crystal structure, TGA/DTA study, DFT and molecular docking investigations of (E)-4-(4-methylbenzyl)-6-styrylpyridazin-3(2H)-one.
J Mol Struct
; 1228: 129435, 2021 Mar 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-33071353
6.
Synthesis, Experimental and Density Functional Theory (DFT) Studies on Solubility of Camptothecin Derivatives.
Molecules
; 23(12)2018 Dec 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-30513778
7.
Protecting-Group-Free Synthesis of 1-Phenylisoquinolin-4-ols: Thermal Cyclization of Methyl 2-[(Diphenylmethylidene)amino]acetates.
J Org Chem
; 82(23): 12849-12856, 2017 12 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-29065266
8.
Synthesis, crystal structure, DFT, Hirshfeld surface analysis, energy framework, docking and molecular dynamic simulations of (E)-4-(4-methylbenzyl)-6-styrylpyridazin-3(2H)-one as anticancer agent.
J Biomol Struct Dyn
; 41(21): 11578-11597, 2023.
Artigo
em Inglês
| MEDLINE | ID: mdl-36617972
9.
Synthesis, Characterization, DFT, and In Silico Investigation of Two Newly Synthesized ß-Diketone Derivatives as Potent COX-2 Inhibitors.
Bioengineering (Basel)
; 10(12)2023 Nov 27.
Artigo
em Inglês
| MEDLINE | ID: mdl-38135952
10.
Harvesting highly electronically excited energy to triplet manifolds: state-dependent intersystem crossing rate in Os(II) and Ag(I) complexes.
J Am Chem Soc
; 134(18): 7715-24, 2012 May 09.
Artigo
em Inglês
| MEDLINE | ID: mdl-22515479
11.
Computational study of Xe(OH)4, XeO(OH)3(-), and XeO2(OH)2(2-).
J Phys Chem A
; 116(42): 10397-402, 2012 Oct 25.
Artigo
em Inglês
| MEDLINE | ID: mdl-22985304
12.
Insights into the crystal structure of two newly synthesized quinoxalines derivatives as potent inhibitor for c-Jun N-terminal kinases.
J Biomol Struct Dyn
; 40(6): 2797-2814, 2022 04.
Artigo
em Inglês
| MEDLINE | ID: mdl-33200685
13.
Insight into the Crystal Structures and Potential of Two Newly Synthesized Naproxen-Based Hydrazide Derivatives as Potent COX-2 Inhibitors.
Appl Biochem Biotechnol
; 194(12): 5781-5807, 2022 Dec.
Artigo
em Inglês
| MEDLINE | ID: mdl-35819690
14.
Mesomorphism and luminescence properties of platinum(II) complexes with tris(alkoxy)phenyl-functionalized pyridyl pyrazolate chelates.
Chemistry
; 17(2): 546-56, 2011 Jan 10.
Artigo
em Inglês
| MEDLINE | ID: mdl-21207572
15.
Excited-state intramolecular proton transfer molecules bearing o-hydroxy analogues of green fluorescent protein chromophore.
J Org Chem
; 76(20): 8189-202, 2011 Oct 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-21942211
16.
Exploring the twisted molecular configurations for tuning their optical and nonlinear optical response properties: A quantum chemical approach.
J Mol Graph Model
; 102: 107766, 2021 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-33069123
17.
Unexpected synthesis of novel 2-pyrone derivatives: crystal structures, Hirshfeld surface analysis and computational studies.
J Biomol Struct Dyn
; 39(13): 4859-4877, 2021 Aug.
Artigo
em Inglês
| MEDLINE | ID: mdl-32571166
18.
Copper(I)-Catalyzed Nitrile-Addition/N-Arylation Ring-Closure Cascade: Synthesis of 5,11-Dihydro-6H-indolo[3,2-c]quinolin-6-ones as Potent Topoisomerase-I Inhibitors.
J Med Chem
; 64(3): 1435-1453, 2021 02 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-33492141
19.
A computational study on the capability of borane-cyclic boryl anion adducts to act as hydrogen atom donors.
J Comput Chem
; 31(12): 2258-62, 2010 Sep.
Artigo
em Inglês
| MEDLINE | ID: mdl-20336800
20.
Photoisomerization of a maleonitrile-type salen Schiff base and its application in fine-tuning infinite coordination polymers.
Chemistry
; 16(12): 3770-82, 2010 Mar 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-20162646