A5089751708- Computational Drug Discovery Methods
- Neuropeptides and Animal Physiology
- Pharmacogenetics and Drug Metabolism
- Synthesis and Characterization of Heterocyclic Compounds
- Quinazolinone synthesis and applications
- Synthesis and biological activity
- Receptor Mechanisms and Signaling
- Histone Deacetylase Inhibitors Research
- S100 Proteins and Annexins
- Heat shock proteins research
- Malaria Research and Control
- Mosquito-borne diseases and control
- Microbial Natural Products and Biosynthesis
- 14-3-3 protein interactions
- Enzyme Structure and Function
- Metabolomics and Mass Spectrometry Studies
- HER2/EGFR in Cancer Research
- SARS-CoV-2 and COVID-19 Research
- ATP Synthase and ATPases Research
- Calcium signaling and nucleotide metabolism
- Analytical Chemistry and Chromatography
- Bioactive Compounds and Antitumor Agents
- Diabetes Treatment and Management
- Cholinesterase and Neurodegenerative Diseases
- Immune Cell Function and Interaction
Universidade Federal do Rio de Janeiro
2019-2025
Instituto Nacional de Ciência e Tecnologia em Entomologia Molecular
2022-2024
National Institute of Science and Technology of Drugs and Medicines
2023-2024
Rede de Química e Tecnologia
2020
University of Kansas
2014-2015
Universidade Federal de Juiz de Fora
2013
Introduction The current drug discovery paradigm of 'one drug, multiple targets' has gained attention from both the academic medicinal chemistry community and pharmaceutical industry. This is in response to urgent need for effective agents treat multifactorial chronic diseases. molecular hybridization strategy a useful tool that been widely explored, particularly last two decades, design multi-target drugs.
Rho-associated protein kinases (ROCK) play a pivotal role in various cellular processes and have emerged as therapeutic targets for neurodegenerative diseases such Alzheimer's disease (AD). Inhibition of ROCK affects the production key AD pathophysiological markers reduces neuroinflammation. This study aims to accelerate identification effective candidates neurodegeneration by drug repurposing. By conducting chemical space crystallographic structure analyses, we developed pharmacophoric map...
N-acylhydrazones (NAH) are privileged structures in chemistry and medicinal chemistry. The alkylation of NAH can profoundly alter the structural properties this subunit. In study, we describe conformational effects N- C-methylated derivatives, combining theoretical experimental data analysis. Methylation significantly affects structure through electronic influences changes lowest energy conformation. introduction methyl group induces a substantial steric impact, evident from alterations...
In December 2019, an infectious disease was detected in Wuhan, China, caused by a new pathogenic coronavirus, named SARS-CoV-2. It spread very rapidly, and on March 11th of 2020, the outbreak declared pandemic World Health Organization. Currently, effective treatment options remain limited. SARS-CoV-2 enzyme main protease (MPRO) plays pivotal role viral life cycle, making it putative drug target. order to identify suitable hits develop inhibitors with adequate antiviral properties, we...
Combretastatin A-4 (CA-4,
This account describes the analysis of Laboratory Evaluation and Synthesis Bioactive Substances (LASSBio) chemical library as a valuable resource for early drug discovery studies. LASSBio has been using medicinal chemistry strategies almost 30 years to design new prototype compounds with focus on pharmacological activity. The Chemical Library (LCL) is collection more than 2000 compounds, aim this work was characterize its diversity perform molecular repositioning study identify ligands...
DPP-4 is a pharmacological target that remains of considerable ongoing interest. Here, we describe original DPP4 inhibitors bearing new β-amino- N -acylhydrazone framework and the impact stereochemistry on inhibition profile.
This work examines the current landscape of drug discovery and development, with a particular focus on chemical pharmacological spaces. It emphasizes importance understanding these spaces to anticipate future trends in discovery. The use cheminformatics data analysis enabled silico exploration spaces, allowing perspective drugs, approved drugs after 2020, clinical candidates, which were extracted from newly released ChEMBL34 (March 2024). enables identification areas be occupied, thereby...
The amino-quinazoline scaffold stands out as a privileged structure in Medicinal Chemistry, due to its pleiotropic pharmacological profile. It has been explored the design and development of novel drug candidates for several therapeutic applications, including antihypertensive, antiinflammatory, antipsychotic, anti-Alzheimer, anticancer, antiviral, antibiotic, antiparasitic treatments, among others. value drugs was first demonstrated with use alpha 1-adrenoceptor antagonists, such prazosin,...
The 4-aminoquinazoline scaffold is a privileged structure in medicinal chemistry. Regioselective nucleophilic aromatic substitution (SNAr) for replacing the chlorine atom at 4-position of 2,4-dichloroquinazoline precursors well documented scientific literature and has proven useful synthesizing 2-chloro-4-aminoquinazolines and/or 2,4-diaminoquinazolines various therapeutic applications. While numerous reports describe reaction conditions involving different nucleophiles, solvents,...