A5042793465- vaccines and immunoinformatics approaches
- Influenza Virus Research Studies
- Computational Drug Discovery Methods
- interferon and immune responses
- Enzyme Structure and Function
- SARS-CoV-2 and COVID-19 Research
- Polyamine Metabolism and Applications
- Metal complexes synthesis and properties
- Aldose Reductase and Taurine
- Biochemical and Molecular Research
- RNA and protein synthesis mechanisms
- Protein Structure and Dynamics
- HIV/AIDS drug development and treatment
- Coding theory and cryptography
- Receptor Mechanisms and Signaling
- Asymmetric Hydrogenation and Catalysis
- Chemical Synthesis and Analysis
- Rings, Modules, and Algebras
- Enzyme function and inhibition
- Immune Response and Inflammation
- Quantum Computing Algorithms and Architecture
National Academy of Sciences of Armenia
2024
Institute of Molecular Biology
2023-2024
Yerevan State University
2021-2023
Abstract The coronavirus disease 19 pandemic, caused by severe acute respiratory syndrome 2 (SARS-CoV-2), has led to a global health crisis with millions of confirmed cases and related deaths. main protease (Mpro) SARS-CoV-2 is crucial for viral replication presents an attractive target drug development. Despite the approval some drugs, search effective treatments continues. In this study, we systematically evaluated 342 holo-crystal structures Mpro identify optimal conformations...
A new family of Cu(II) and Ni(II) salen complexes was synthesized fully characterized through various physicochemical methods. Their catalytic activity evaluated in the phase transfer Cα-alkylation reaction Schiff bases D,L-alanine ester benzaldehyde derivatives. It found that introduction a chlorine atom into ortho- para-positions phenyl ring substrate resulted an increase both chemical yield asymmetric induction (ee 66-98%). The highest enantiomeric excess achieved case complex based on...
Ni(II) complexes of the Schiff base chiral auxiliary (S)-2-N-(N′-benzylprolyl)aminobenzophenone (BPB) and α-substituted propargylglycines as initial in Glaser reaction were investigated. Three new bis-derivatives propargylglycine obtained with high chemical yields. To study patterns biological activity structure propargylglycine, mono analogs these amino acids obtained. Bis-derivative selectively inhibited ALR2 while did not inhibit ALR1. Thus,...
<title>Abstract</title> The ongoing COVID-19 pandemic, driven by the SARS-CoV-2 virus, necessitates development of effective therapeutics. main protease Mpro, is a key target due to its crucial role in viral replication. Our study presents novel approach combining ligand-based pharmacophore modeling with structure-based advanced virtual screening (AVS) identify potential inhibitors Mpro. We screened around 200 million compounds using this integrated methodology, resulting shortlist promising...
Abstract The COVID-19 pandemic, driven by the SARS-CoV-2 virus, necessitates development of effective therapeutics. main protease Mpro, is a key target due to its crucial role in viral replication. Our study presents novel approach combining ligand-based pharmacophore modeling with structure-based advanced virtual screening identify potential inhibitors Mpro. We screened around 200 million compounds using this integrated methodology, resulting shortlist promising compounds. These were...
Influenza virus remains a major public health challenge due to its high morbidity and mortality seasonal surge. Although antiviral drugs against the influenza are widely used as first-line defense, undergoes rapid genetic changes, resulting in emergence of drug-resistant strains. Thus, new that can outwit resistant strains significant importance. Herein, we deep reinforcement learning (RL) algorithm design chemical entities (NCEs) able bind native H275Y mutant (oseltamivir-resistant)...