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44 Results       Page 1

 [1] 
The Royal Society of Chemistry: Chemical Science
  original article Date Title Authors   All Authors
1 [GO] 2024―Oct―17 Cyclic peptides targeting the SARS-CoV-2 programmed ribosomal frameshifting RNA from a multiplexed phage display library Jacob A. Iannuzzelli, Rachel Bonn, Andrew Sung Hong, Abhijith Saseendran Anitha, Joseph E Wedekind, Jermaine L Jenkins, Rudi Fasan
2 [GO] 2024―Aug―23 Water-Glycan Interactions Drive the SARS-CoV-2 Spike Dynamics: Insights into Glycan-Gate Control and Camouflage Mechanism. Marharyta Blazhynska, Louis Lagardere, Chengwen Liu, Olivier Adjoua, Pengyu Ren, Jean-Philip Piquemal
3 [GO] 2024―Jun―03 Mechanistic insights into bismuth(iii) inhibition of SARS-CoV-2 helicase Xueying Wei, Chun-Lung Chan, Ying Zhou, Kaiming Tang, Jingxin Chen, Suyu Wang, et al. (+4)
4 [GO] 2024―Apr―16 Thiophene-fused γ-lactams inhibit the SARS-CoV-2 main protease via reversible covalent acylation Gayatri Gayatri, Lennart Brewitz, Lewis Ibbotson, Eidarus Saleh, Shyam Basak, Hani Choudhry, Christopher J Schofield
5 [GO] 2023―Sep―18 Metal-coding assisted serological multi-omics profiling deciphers the role of selenium in COVID-19 immunity Ying Zhou, Shuofeng Yuan, Fan Xiao, Hongyan Li, Ziwei Ye, Tianfan Cheng, et al. (+14)
6 [GO] 2023―Sep―11 Resolving a Guanine-Quadruplex Structure in the SARS-CoV-2 Genome through Circular Dichroism and Multiscale Molecular Modeling Luisa D'Anna, Tom Miclot, Emmanuelle Bignon, Ugo Perricone, Giampaolo Barone, Antonio Monari, Alessio Terenzi
7 [GO] 2023―Sep―05 Correction: Peptide epitope-imprinted polymer microarrays for selective protein recognition. Application for SARS-CoV-2 RBD protein Zsófia Bognár, Eszter Supala, Aysu Yarman, Xiaorong Zhang, Frank F. Bier, Frieder W. Scheller, Róbert E. Gyurcsányi
8 [GO] 2023―Jun―05 The ACE2 receptor accelerates but is not biochemically required for SARS-CoV-2 membrane fusion Marcos Cervantes, Tobin Hess, Giorgio Gianini Morbioli, Anjali Sengar, Peter Kasson
9 [GO] 2023―May―25 Isotope-Encoded Tetrahedral DNA for Multiple SARS-CoV-2 Variants Diagnosis Ziyan Li, Jing Zhou, Chaoqun Wang, Rui Liu, Jianyu Hu, Yi Lv
10 [GO] 2023―May―03 Diagnostics and Analysis of SARS-CoV-2: Current Status, Recent Advances, Challenges and Perspectives Aihua Liu, Tao Dong, Mingyang Wang, Junchong Liu, Pengxin Ma, Shuang Pang, Wanjian Liu
11 [GO] 2023―Apr―19 MOF/DNA luminescent sensing platform for detection of potential COVID-19 biomarker and drug Xinrui Wang, Gilles Clavier, Yan Zhang, Kamal Batra, Nannan Xiao, Guillaume Maurin, et al. (+3)
12 [GO] 2023―Apr―11 Unraveling the Catalytic Mechanism of SARS-CoV-2 Papain-like Protease with Allosteric Modulation of C270 Mutation Using Multiscale Computational Approaches Qiang Shao, Muya Xiong, Jiameng Li, Hangchen Hu, Haixia Su, Yechun Xu
13 [GO] 2023―Feb―17 SARS-CoV-2 Spike Proteins React with Au and Si, are Electrically Conductive and Denature at 3 × 10^8 V/m: a Surface Bonding and a Single-Protein Circuit Study. Essam M. Dief, Nadim Darwish
14 [GO] 2023―Feb―14 Impact of SARS-CoV-2 3CL Protease Mutations on Nirmatrelvir Inhibitory Efficiency. Computational Insights into Potential Resistance Mechanisms Carlos A. Ramos-Guzmán, Milorad Andjelkovic, Kirill Zinovjev, José Javier Ruiz-Pernía, Iñaki Tuñón
15 [GO] 2023―Jan―06 Azapeptide activity-based probes for the SARS-CoV-2 main protease enable visualization of inhibition in infected cells Roeland Vanhoutte, Marta Barniol-Xicota, Winston Chiu, Laura Vangeel, Dirk Jochmans, Steven De Jonghe, et al. (+5)
16 [GO] 2022―Dec―13 Enantioselective Inhibition of the SARS-CoV-2 Main Protease with Rhenium(I) Picolinic Acid Complexes Seth M Cohen, Johannes Karges, Miriam Giardini, Olivier Blacque, Brendon Woodworth, Jair Siqueira-Neto
17 [GO] 2022―Aug―31 Distinct Core Glycan and O-Glycoform Utilization of SARS-CoV-2 Omicron Variant Spike Protein RBD Revealed by Top-Down Mass Spectrometry David Stephen Roberts, Morgan William Mann, Brad H. Li, Donguk Kim, Allan R. Brasier, Song Jin, Ying Ge
18 [GO] 2022―May―23 Point Mutations in SARS-CoV-2 Variants Induce Long-Range Dynamical Perturbations in Neutralizing Antibodies Dhiman Ray, Riley N Quijano, Ioan Andricioaei
19 [GO] 2022―May―02 Autophagy and evasion of immune system by SARS-CoV-2. Structural features of the Non-structural protein 6 from Wild Type and Omicron viral strains interacting with a model lipid bilayer Emmanuelle Bignon, Marco Marazzi, Stéphanie Grandemange, Antonio Monari
20 [GO] 2022―Feb―28 Antiviral cyclic peptides targeting the main protease of SARS-CoV-2 Jason Johansen-Leete, Sven Ullrich, Sarah E. Fry, Rebecca Frkic, Max J. Bedding, Anupriya Aggarwal, et al. (+14)
21 [GO] 2022―Feb―15 Selective Covalent Targeting of SARS-CoV-2 Main Protease by Enantiopure Chlorofluoroacetamide Daiki Yamane, Satsuki Onitsuka, Suyong Re, Hikaru Isogai, Rui Hamada, Tadanari Hiramoto, et al. (+4)
22 [GO] 2022―Feb―14 Multiplex Metal-Detection based Assay (MMDA) for COVID-19 diagnosis and identification of disease severity biomarkers Ying Zhou, Shuofeng Yuan, Kelvin Kai-Wang To, Xiaohan Xu, Hongyan Li, Jian-Piao Cai, et al. (+7)
23 [GO] 2022―Feb―10 Computationally driven discovery of SARS-CoV-2 Mpro inhibitors: from design to experimental validation Léa El Khoury, Zhifeng Jing, Alberto Cuzzolin, Alessandro Deplano, Daniele Loco, Boris Sattarov, et al. (+29)
24 [GO] 2021―Nov―25 Fine-tuning the Spike: Role of the nature and topology of the glycan shield in the structure and dynamics of the SARS-CoV-2 S Aoife Martha Harbison, Carl A Fogarty, Toan Phung, Akash Satheesan, Benjamin L. Schulz, Elisa Fadda
25 [GO] 2021―Nov―23 Peptide epitope-imprinted polymer microarrays for selective protein recognition. Application for SARS-CoV-2 RBD protein Zsófia Bognár, Eszter Supala, Aysu Yarman, Xiaorong Zhang, Frank F. Bier, Frieder Scheller, Róbert E. Gyurcsányi
26 [GO] 2021―Nov―17 Automated Discovery of Noncovalent Inhibitors of SARS-CoV-2 Main Protease by Consensus Deep Docking of 40 Billion Small Molecules Francesco Gentile, Michael Fernandez, Fuqiang Ban, Anh-Tien Ton, Hazem Mslati, Carl Perez, et al. (+8)
27 [GO] 2021―Sep―24 Allosteric Inhibition of SARS-CoV-2 3CL Protease by Colloidal Bismuth Subcitrate Xuan Tao, Lu Zhang, Liubing Du, Ruyan Liao, Huiling Cai, Kai Lu, et al. (+9)
28 [GO] 2021―Sep―06 Modelling the Active SARS-CoV-2 Helicase Complex as a Basis for Structure-based Inhibitor Design Edina Rosta, Sarah A Harris, Nadia Elghobashi-Meinhardt, Andrei Pisliakov, Pedro J Buigues, Sam A Martino, et al. (+4)
29 [GO] 2021―Sep―06 Discovery of SARS-CoV-2 Mpro Peptide Inhibitors from Modelling Substrate and Ligand Binding H. T. Henry Chan, Marc Alexander Moesser, Rebecca K. Walters, Tika R Malla, Rebecca M Twidale, Tobias John, et al. (+22)
30 [GO] 2021―Aug―26 Synergistic inhibition of SARS-CoV-2 cell entry by otamixaban and covalent protease inhibitors: pre-clinical assessment of pharmacological and molecular properties Tim Hempel, Katarina Elez, Nadine Krüger, Lluís Raich, Jonathan H. Shrimp, Olga Danov, et al. (+7)
31 [GO] 2021―Jun―03 Determination of intermediate state structures in the opening pathway of SARS-CoV-2 spike using cryo-electron microscopy Z. Faidon Brotzakis, Thomas Lohr, Michele Vendruscolo
32 [GO] 2021―May―26 Translating Daily COVID-19 Screening into a Simple Glucose Test: A Proof of Concept Study Ran Liu, Yuansheng Hu, Ying He, Tian Lan, Jingjing Zhang
33 [GO] 2021―Apr―22 Correction: Multi-targeting of functional cysteines in multiple conserved SARS-CoV-2 domains by clinically safe Zn-ejectors Karen Sargsyan, Chien-Chu Lin, Ting Chen, Cédric Grauffel, Yi-Ping Chen, Wei-Zen Yang, et al. (+5)
34 [GO] 2021―Apr―15 Prediction and mitigation of mutation threats to COVID-19 vaccines and antibody therapies Jiahui Chen, Kaifu Gao, Rui Wang, Guowei Wei
35 [GO] 2021―Mar―02 Molecular Recognition of SARS-CoV-2 Spike Glycoprotein: Quantum Chemical Hot Spot and Epitope Analyses Chiduru Watanabe, Yoshio Okiyama, Shigenori Tanaka, Kaori Fukuzawa, Teruki Honma
36 [GO] 2021―Feb―02 High-Resolution Mining of SARS-CoV-2 Main Protease Conformational Space: Supercomputer-Driven Unsupervised Adaptive Sampling Theo Jaffrelot-Inizan, Frédéric CELERSE, Olivier Adjoua, Dina El Ahdab, Luc-Henri Jolly, Chengwen Liu, et al. (+6)
37 [GO] 2021―Jan―29 A Microscopic Description of SARS-CoV-2 Main Protease Inhibition with Michael Acceptors. Strategies for Improving Inhibitors Design Carlos A. Ramos-Guzmán, José Javier Ruiz-Pernía, Iñaki Tuñón
38 [GO] 2020―Nov―27 Mechanism of Inhibition of SARS-CoV-2 Mpro by N3 Peptidyl Michael Acceptor Explained by QM/MM Simulations and Design of New Derivatives with Tunable Chemical Reactivity Kemel Arafet, Natalia Serrano Aparicio, Alessio Lodola, Adrian John Mulholland, Florenci Vicent González, Katarzyna Świderek, Vicent Moliner
39 [GO] 2020―Nov―26 Inhibitor binding influences the protonation states of histidines in SARS-CoV-2 main protease Anna Pavlova, Diane L. Lynch, Isabella Daidone, Laura Zanetti-Polzi, Micholas Dean Smith, Chris Chipot, et al. (+13)
40 [GO] 2020―Nov―13 Molecular mechanism of inhibiting the SARS-CoV-2 cell entry facilitator TMPRSS2 with Camostat and Nafamostat Tim Hempel, Lluís Raich, Simon Olsson, Nurit P Azouz, Andrea M Klingler, Markus Hoffmann, et al. (+3)
41 [GO] 2020―Oct―12 A Serological Aptamer-Assisted Proximity Ligation Assay for COVID-19 Diagnosis and Seeking Neutralizing Aptamers Ran Liu, Lei He, Yuansheng Hu, Zhaofeng Luo, Jingjing Zhang
42 [GO] 2020―Sep―30 Unveiling the molecular mechanism of SARS-CoV-2 main protease inhibition from 137 crystal structures using algebraic topology and deep learning Duc Nguyen, Kaifu Gao, Jiahui Chen, Rui Rui Wang, Guowei Wei
43 [GO] 2020―Sep―01 Multi-Targeting of Functional Cysteines in Multiple Conserved SARS-CoV-2 Domains by Clinically Safe Zn-ejectors Karen Sargsyan, Chien-Chu Lin, Ting Chen, Cedric Grauffel, Yi-Ping Chen, Wei-Zen Yang, et al. (+2)
44 [GO] 2020―Jun―25 Revealing the Molecular Mechanisms of Proteolysis of SARS-CoV-2 Mpro from QM/MM Computational Methods. Katarzyna Świderek, Vicent Moliner
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44 Results       Page 1


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