A5062615504- Computational Drug Discovery Methods
- SARS-CoV-2 and COVID-19 Research
- Organic Electronics and Photovoltaics
- Conducting polymers and applications
- Photochromic and Fluorescence Chemistry
- Biochemical and Molecular Research
- Perovskite Materials and Applications
- Semiconductor materials and interfaces
- Protein Structure and Dynamics
- Synthesis and Characterization of Heterocyclic Compounds
- Synthesis and Properties of Aromatic Compounds
- COVID-19 Clinical Research Studies
- Bacteriophages and microbial interactions
- Tuberculosis Research and Epidemiology
- Synthesis and biological activity
- Crystallography and molecular interactions
WuXi AppTec (United States)
2021
National Yang Ming Chiao Tung University
2016-2019
University of Maryland, Baltimore
2016
We report the identification of three structurally diverse compounds - compound 4, GC376, and MAC-5576 as inhibitors SARS-CoV-2 3CL protease. Structures each these in complex with protease revealed strategies for further development, well general principles designing inhibitors. These may therefore serve leads basis building effective
We describe a mammalian cell-based assay to identify coronavirus 3CL protease (3CLpro) inhibitors. This is based on rescuing protease-mediated cytotoxicity and does not require live virus. By enabling the facile testing of compounds across range 15 distantly related 3CLpro enzymes, we identified with broad 3CLpro-inhibitory activity. also adapted for use in compound screening doing so uncovered additional severe acute respiratory syndrome 2 (SARS-CoV-2) observed strong concordance between...
Three selenophene-incorporated quaterchalcogenophene-based donor–acceptor copolymers PFBT2Th2Se, PFBT2Se2Th, and PFBT4Se are designed synthesized. To systematically fine-tune the molecular properties investigate chalcogen effect, PFBT2Th2Se PFBT2Se2Th hybridize two thiophenes selenophenes as donor with different isomeric main-chain placement while thiophene-free uses quaterselenophene donor. On account of selenophene's advantageous features such higher quinoidal population polarizability,...
In this research, we developed six new selenophene-incorporated naphthobisthiadiazole-based donor–acceptor polymers PNT2Th2Se-OD, PNT2Se2Th-OD, PNT4Se-OD, PNT2Th2Se-DT, PNT2Se2Th-DT, and PNT4Se-DT. The structure–property relationships have been systematically established through the comparison of their structural variations: (1) isomeric biselenophene/bithiophene arrangement between PNT2Th2Se PNT2Se2Th polymers, (2) quarterselenophene donor units PNT2Th2Se/PNT2Se2Th PNT4Se (3) side-chain...
A new class of heptacyclic ladder-type terbenzodithiophene (TBDT) structures merging three fused benzodithophenes was developed. Two TBDT conjugated isomers, named as syn-TBDT and anti-TBDT, where the two thienyl rings in outmost BDT units are syn- anti-fashion, designed. decyl groups introduced to their 6,13 7,14-positions form four isomeric 6,13-syn-TBDT, 7,14-syn-TBDT, 6,13-anti-TBDT, 7,14-anti-TBDT which constructed by DBU-induced 6-benzannulation involving propargyl-allenyl...
A Correction to this paper has been published: https://doi.org/10.1038/s41467-021-23082-3