B. Seychell
A5003132705- SARS-CoV-2 and COVID-19 Research
- Computational Drug Discovery Methods
- interferon and immune responses
- COVID-19 Clinical Research Studies
- Peptidase Inhibition and Analysis
- Synthesis and biological activity
- Diverse Scientific Research Studies
- Infectious Encephalopathies and Encephalitis
- RNA Interference and Gene Delivery
- Protein Structure and Dynamics
- thermodynamics and calorimetric analyses
- RNA and protein synthesis mechanisms
- Phagocytosis and Immune Regulation
- Synthesis and Characterization of Heterocyclic Compounds
- Antimicrobial Peptides and Activities
- Hepatitis B Virus Studies
- Fibroblast Growth Factor Research
- Adenosine and Purinergic Signaling
- Hepatitis C virus research
- Phosphodiesterase function and regulation
- S100 Proteins and Annexins
- Animal testing and alternatives
- Vitamin C and Antioxidants Research
- Enzyme Structure and Function
- Photosynthetic Processes and Mechanisms
University of Malta
2023-2024
Universität Hamburg
2020-2024
Imam Abdulrahman Bin Faisal University
2023
The coronavirus disease (COVID-19) caused by SARS-CoV-2 is creating tremendous human suffering. To date, no effective drug available to directly treat the disease. In a search for against COVID-19, we have performed high-throughput x-ray crystallographic screen of two repurposing libraries main protease (M
Several drug screening campaigns identified Calpeptin as a candidate against SARS-CoV-2. Initially reported to target the viral main protease (Mpro), its moderate activity in Mpro inhibition assays hints at second target. Indeed, we show that is an extremely potent cysteine cathepsin inhibitor, finding additionally supported by X-ray crystallography. Cell infection proved Calpeptin's efficacy Treatment of SARS-CoV-2-infected Golden Syrian hamsters with sulfonated dose 1 mg/kg body weight...
The main protease (Mpro) of SARS-CoV-2 is critical for viral function and a key drug target. Mpro only active when reduced; turnover ceases upon oxidation but restored by re-reduction. This suggests the system has evolved to survive periods in an oxidative environment, mechanism this protection not been confirmed. Here, we report crystal structure oxidized showing disulfide bond between site cysteine, C145, distal C117. Previous work proposed provides from irreversible oxidation. forms...
Abstract The coronavirus disease (COVID-19) caused by SARS-CoV-2 is creating tremendous health problems and economical challenges for mankind. To date, no effective drug available to directly treat the prevent virus spreading. In a search against COVID-19, we have performed massive X-ray crystallographic screen of two repurposing libraries main protease (M pro ), which essential replication and, thus, potent target. contrast commonly applied fragment screening experiments with molecules low...
Abstract Here we present the crystal structure of SARS-CoV-2 main protease (M pro ) covalently bound to 2-methyl-1-tetralone. This complex was obtained by co-crystallization M with HEAT (2-(((4-hydroxyphenethyl)amino)methyl)-3,4-dihydronaphthalen-1(2H)-one) in framework a large X-ray crystallographic screening project against drug repurposing library, consisting 5632 approved drugs or compounds clinical phase trials. Further investigations showed that is cleaved an E1cB-like reaction...
Abstract Several drug screening campaigns identified Calpeptin as a candidate against SARS-CoV-2. Initially reported to target the viral main protease (Mpro), its moderate activity in Mpro inhibition assays hints at second target. Indeed, we show that is an extremely potent cysteine cathepsin inhibitor, finding additionally supported by X-ray crystallography. Cell infection proved Calpeptin’s efficacy Treatment of SARS-CoV-2-infected Golden Syrian hamsters with sulfonated dose 1 mg/kg body...