Detalhe da pesquisa
1.
Andrographolide: A Diterpenoid from Cymbopogon schoenanthus Identified as a New Hit Compound against Trypanosoma cruzi Using Machine Learning and Experimental Approaches.
J Chem Inf Model
; 64(7): 2565-2576, 2024 Apr 08.
Artigo
Inglês
| MEDLINE | ID: mdl-38148604
2.
MASSA Algorithm: an automated rational sampling of training and test subsets for QSAR modeling.
J Comput Aided Mol Des
; 37(12): 735-754, 2023 12.
Artigo
Inglês
| MEDLINE | ID: mdl-37804393
3.
Enzyme-Catalyzed Spiroacetal Formation in Polyketide Antibiotic Biosynthesis.
J Am Chem Soc
; 144(32): 14555-14563, 2022 08 17.
Artigo
Inglês
| MEDLINE | ID: mdl-35921248
4.
Studies on the Dual Activity of EGFR and HER-2 Inhibitors Using Structure-Based Drug Design Techniques.
Int J Mol Sci
; 19(12)2018 Nov 23.
Artigo
Inglês
| MEDLINE | ID: mdl-30477154
5.
Structural Dynamics of DPP-4 and Its Influence on the Projection of Bioactive Ligands.
Molecules
; 23(2)2018 Feb 23.
Artigo
Inglês
| MEDLINE | ID: mdl-29473857
6.
A potential antiviral against COVID-19 obtained from Byrsonima coccolobifolia leaves extract.
Fitoterapia
; 173: 105820, 2024 Mar.
Artigo
Inglês
| MEDLINE | ID: mdl-38211642
7.
The Potential of Secondary Metabolites from Plants as Drugs or Leads against Trypanosoma cruzi-An Update from 2012 to 2021.
Curr Top Med Chem
; 23(3): 159-213, 2023.
Artigo
Inglês
| MEDLINE | ID: mdl-36515019
8.
Identification of inhibitors as drug candidates against Chagas disease.
Eur J Med Chem
; 248: 115074, 2023 Feb 15.
Artigo
Inglês
| MEDLINE | ID: mdl-36623331
9.
Structural analysis of factors related to FAM3C/ILEI dimerization and identification of inhibitor candidates targeting cancer treatment.
Comput Biol Chem
; 104: 107869, 2023 Jun.
Artigo
Inglês
| MEDLINE | ID: mdl-37068312
10.
Recent Advances in the Prediction of Pharmacokinetics Properties in Drug Design Studies: A Review.
ChemMedChem
; 17(1): e202100542, 2022 01 05.
Artigo
Inglês
| MEDLINE | ID: mdl-34655454
11.
Virtual screening and in vitro assays of novel hits as promising DPP-4 inhibitors.
Biochimie
; 194: 43-50, 2022 Mar.
Artigo
Inglês
| MEDLINE | ID: mdl-34952193
12.
Topomer-CoMFA proposed as a tool to construct dual EGFR/HER-2 models.
J Mol Model
; 27(9): 239, 2021 Aug 07.
Artigo
Inglês
| MEDLINE | ID: mdl-34363097
13.
Machine learning techniques applied to the drug design and discovery of new antivirals: a brief look over the past decade.
Expert Opin Drug Discov
; 16(9): 961-975, 2021 09.
Artigo
Inglês
| MEDLINE | ID: mdl-33957833
14.
The application of machine learning techniques to innovative antibacterial discovery and development.
Expert Opin Drug Discov
; 15(10): 1165-1180, 2020 10.
Artigo
Inglês
| MEDLINE | ID: mdl-32552005
15.
Competition Between Phenothiazines and BH3 Peptide for the Binding Site of the Antiapoptotic BCL-2 Protein.
Front Chem
; 8: 235, 2020.
Artigo
Inglês
| MEDLINE | ID: mdl-32309275
16.
Integrated Protocol to Design Potential Inhibitors of Dipeptidyl Peptidase- 4 (DPP-4).
Curr Top Med Chem
; 20(3): 209-226, 2020.
Artigo
Inglês
| MEDLINE | ID: mdl-31878857
17.
Advances with support vector machines for novel drug discovery.
Expert Opin Drug Discov
; 14(1): 23-33, 2019 01.
Artigo
Inglês
| MEDLINE | ID: mdl-30488731
18.
Advances and Perspectives in Applying Deep Learning for Drug Design and Discovery.
Front Robot AI
; 6: 108, 2019.
Artigo
Inglês
| MEDLINE | ID: mdl-33501123
19.
Advances and Challenges in Drug Design of PPARδ Ligands.
Curr Drug Targets
; 19(2): 144-154, 2018.
Artigo
Inglês
| MEDLINE | ID: mdl-28413978
20.
Studies of Staphylococcus aureus FabI inhibitors: fragment-based approach based on holographic structure-activity relationship analyses.
Future Med Chem
; 9(2): 135-151, 2017 02.
Artigo
Inglês
| MEDLINE | ID: mdl-28128024