Detalhe da pesquisa
1.
3D-SMGE: a pipeline for scaffold-based molecular generation and evaluation.
Brief Bioinform
; 24(6)2023 Sep 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-37756591
2.
Accelerating and Automating the Free Energy Perturbation Absolute Binding Free Energy Calculation with the RED-E Function.
J Chem Inf Model
; 63(24): 7755-7767, 2023 Dec 25.
Artigo
em Inglês
| MEDLINE | ID: mdl-38048439
3.
Structure Revisions of Phenolic Bisabolane Sesquiterpenes and a Ferroptosis Inhibitor from the Marine-Derived Fungus Aspergillus versicolor YPH93.
J Nat Prod
; 86(4): 830-841, 2023 04 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-36897077
4.
Identify potent SARS-CoV-2 main protease inhibitors via accelerated free energy perturbation-based virtual screening of existing drugs.
Proc Natl Acad Sci U S A
; 117(44): 27381-27387, 2020 11 03.
Artigo
em Inglês
| MEDLINE | ID: mdl-33051297
5.
Free energy perturbation-based large-scale virtual screening for effective drug discovery against COVID-19.
Int J High Perform Comput Appl
; 37(1): 45-57, 2023 Jan.
Artigo
em Inglês
| MEDLINE | ID: mdl-38603271
6.
Therapeutic targets and potential agents for the treatment of COVID-19.
Med Res Rev
; 41(3): 1775-1797, 2021 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-33393116
7.
Discovery of effective phosphodiesterase 2 inhibitors with antioxidant activities for the treatment of Alzheimer's disease.
Bioorg Med Chem Lett
; 41: 128016, 2021 06 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-33838306
8.
Design, synthesis and biological evaluation of novel pyrazolopyrimidone derivatives as potent PDE1 inhibitors.
Bioorg Chem
; 114: 105104, 2021 09.
Artigo
em Inglês
| MEDLINE | ID: mdl-34186466
9.
Heightened Local Th17 Cell Inflammation Is Associated with Severe Community-Acquired Pneumonia in Children under the Age of 1 Year.
Mediators Inflamm
; 2021: 9955168, 2021.
Artigo
em Inglês
| MEDLINE | ID: mdl-34602860
10.
The immunomodulatory role of PDEs inhibitors in immune cells: therapeutic implication in rheumatoid arthritis.
Pharmacol Res
; 161: 105134, 2020 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-32798648
11.
Design, synthesis and evaluation of pyrazolopyrimidinone derivatives as novel PDE9A inhibitors for treatment of Alzheimer's disease.
Bioorg Med Chem Lett
; 30(14): 127254, 2020 07 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-32527553
12.
Single-Particle Enzyme Activity Assay with Spectral-Resolved Dark-Field Optical Microscopy.
Anal Chem
; 91(9): 6329-6339, 2019 05 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-30978003
13.
Reply to Behnam and Klein: Potential role of the His-tag in C-terminal His-tagged SARS-CoV-2 main protease.
Proc Natl Acad Sci U S A
; 118(36)2021 09 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-34475220
14.
Reply to Ma and Wang: Reliability of various in vitro activity assays on SARS-CoV-2 main protease inhibitors.
Proc Natl Acad Sci U S A
; 118(8)2021 02 23.
Artigo
em Inglês
| MEDLINE | ID: mdl-33568500
15.
Enantiomeric Polyketides from the Starfish-Derived Symbiotic Fungus Penicillium sp. GGF16-1-2.
Chem Biodivers
; 16(6): e1900052, 2019 Jun.
Artigo
em Inglês
| MEDLINE | ID: mdl-30946516
16.
Discovery of novel purine nucleoside derivatives as phosphodiesterase 2 (PDE2) inhibitors: Structure-based virtual screening, optimization and biological evaluation.
Bioorg Med Chem
; 26(1): 119-133, 2018 01 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-29174506
17.
Screening, synthesis, crystal structure, and molecular basis of 6-amino-4-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitriles as novel AKR1C3 inhibitors.
Bioorg Med Chem
; 26(22): 5934-5943, 2018 12 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-30429100
18.
Discovery of novel PDE9A inhibitors with antioxidant activities for treatment of Alzheimer's disease.
J Enzyme Inhib Med Chem
; 33(1): 260-270, 2018 12.
Artigo
em Inglês
| MEDLINE | ID: mdl-29271265
19.
Discovery of Novel Phosphodiesterase-2A Inhibitors by Structure-Based Virtual Screening, Structural Optimization, and Bioassay.
J Chem Inf Model
; 57(2): 355-364, 2017 02 27.
Artigo
em Inglês
| MEDLINE | ID: mdl-28055196
20.
C33(S), a novel PDE9A inhibitor, protects against rat cardiac hypertrophy through upregulating cGMP signaling.
Acta Pharmacol Sin
; 38(9): 1257-1268, 2017 Sep.
Artigo
em Inglês
| MEDLINE | ID: mdl-28649129