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  1. Article ; Online: Development of the Safe and Broad-Spectrum Aldehyde and Ketoamide Mpro inhibitors Derived from the Constrained α, γ-AA Peptide Scaffold.

    Wang, Lei / Ma, Chunlong / Sacco, Michael Dominic / Xue, Songyi / Mahmoud, Mentalla / Calcul, Laurent / Chen, Yu / Wang, Jun / Cai, Jianfeng

    Chemistry (Weinheim an der Bergstrasse, Germany)

    2023  Volume 29, Issue 35, Page(s) e202300476

    Abstract: SARS-CoV-2 is still wreaking havoc all over the world with surging morbidity and high mortality. The main protease ( ... ...

    Abstract SARS-CoV-2 is still wreaking havoc all over the world with surging morbidity and high mortality. The main protease (M
    MeSH term(s) Humans ; SARS-CoV-2 ; COVID-19 ; Peptides/pharmacology ; Coronavirus OC43, Human ; Antiviral Agents/pharmacology ; Protease Inhibitors/chemistry
    Chemical Substances Peptides ; Antiviral Agents ; Protease Inhibitors
    Language English
    Publishing date 2023-05-05
    Publishing country Germany
    Document type Journal Article
    ZDB-ID 1478547-X
    ISSN 1521-3765 ; 0947-6539
    ISSN (online) 1521-3765
    ISSN 0947-6539
    DOI 10.1002/chem.202300476
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  2. Article ; Online: The P132H mutation in the main protease of Omicron SARS-CoV-2 decreases thermal stability without compromising catalysis or small-molecule drug inhibition.

    Sacco, Michael Dominic / Hu, Yanmei / Gongora, Maura Verenice / Meilleur, Flora / Kemp, Michael Trent / Zhang, Xiujun / Wang, Jun / Chen, Yu

    Cell research

    2022  Volume 32, Issue 5, Page(s) 498–500

    MeSH term(s) COVID-19 ; Catalysis ; Humans ; Mutation/genetics ; Peptide Hydrolases ; SARS-CoV-2
    Chemical Substances Peptide Hydrolases (EC 3.4.-)
    Language English
    Publishing date 2022-03-15
    Publishing country England
    Document type Letter ; Research Support, Non-U.S. Gov't ; Research Support, N.I.H., Extramural
    ZDB-ID 1319303-x
    ISSN 1748-7838 ; 1001-0602
    ISSN (online) 1748-7838
    ISSN 1001-0602
    DOI 10.1038/s41422-022-00640-y
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    In stock of ZB MED Cologne/Königswinter

    Zs.A 5283: Show issues Location:
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  3. Article: Discovery of SARS-CoV-2 papain-like protease inhibitors through a combination of high-throughput screening and FlipGFP-based reporter assay.

    Xia, Zilei / Sacco, Michael Dominic / Ma, Chunlong / Townsend, Julia Alma / Kitamura, Naoya / Hu, Yanmei / Ba, Mandy / Szeto, Tommy / Zhang, Xiujun / Meng, Xiangzhi / Zhang, Fushun / Xiang, Yan / Marty, Michael Thomas / Chen, Yu / Wang, Jun

    bioRxiv : the preprint server for biology

    2021  

    Abstract: The papain-like protease ( ... ...

    Abstract The papain-like protease (PL
    Language English
    Publishing date 2021-03-16
    Publishing country United States
    Document type Preprint
    DOI 10.1101/2021.03.15.435551
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  4. Article: Discovery of SARS-CoV-2 Papain-like Protease Inhibitors through a Combination of High-Throughput Screening and a FlipGFP-Based Reporter Assay.

    Ma, Chunlong / Sacco, Michael Dominic / Xia, Zilei / Lambrinidis, George / Townsend, Julia Alma / Hu, Yanmei / Meng, Xiangzhi / Szeto, Tommy / Ba, Mandy / Zhang, Xiujun / Gongora, Maura / Zhang, Fushun / Marty, Michael Thomas / Xiang, Yan / Kolocouris, Antonios / Chen, Yu / Wang, Jun

    ACS central science

    2021  Volume 7, Issue 7, Page(s) 1245–1260

    Abstract: The papain-like protease ( ... ...

    Abstract The papain-like protease (PL
    Language English
    Publishing date 2021-06-18
    Publishing country United States
    Document type Journal Article
    ISSN 2374-7943
    ISSN 2374-7943
    DOI 10.1021/acscentsci.1c00519
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  5. Article ; Online: What brain abnormalities can magnetic resonance imaging detect in foetal and early neonatal spina bifida: a systematic review.

    Mufti, Nada / Sacco, Adalina / Aertsen, Michael / Ushakov, Fred / Ourselin, Sebastian / Thomson, Dominic / Deprest, Jan / Melbourne, Andrew / David, Anna L

    Neuroradiology

    2021  Volume 64, Issue 2, Page(s) 233–245

    Abstract: Purpose: Open spina bifida (OSB) encompasses a wide spectrum of intracranial abnormalities. With foetal surgery as a new treatment option, robust intracranial imaging is important for comprehensive preoperative evaluation and prognostication. We aimed ... ...

    Abstract Purpose: Open spina bifida (OSB) encompasses a wide spectrum of intracranial abnormalities. With foetal surgery as a new treatment option, robust intracranial imaging is important for comprehensive preoperative evaluation and prognostication. We aimed to determine the incidence of infratentorial and supratentorial findings detected by magnetic resonance imaging (MRI) alone and MRI compared to ultrasound.
    Methods: Two systematic reviews comparing MRI to ultrasound and MRI alone were conducted on MEDLINE, EMBASE, and Cochrane databases identifying studies of foetal OSB from 2000 to 2020. Intracranial imaging findings were analysed at ≤ 26 or > 26 weeks gestation and neonates (≤ 28 days). Data was independently extracted by two reviewers and meta-analysis was performed where possible.
    Results: Thirty-six studies reported brain abnormalities detected by MRI alone in patients who previously had an ultrasound. Callosal dysgenesis was identified in 4/29 cases (2 foetuses ≤ 26 weeks, 1 foetus under any gestation, and 1 neonate ≤ 28 days) (15.1%, CI:5.7-34.3%). Heterotopia was identified in 7/40 foetuses ≤ 26 weeks (19.8%, CI:7.7-42.2%), 9/36 foetuses > 26 weeks (25.3%, CI:13.7-41.9%), and 64/250 neonates ≤ 28 days (26.9%, CI:15.3-42.8%). Additional abnormalities included aberrant cortical folding and other Chiari II malformation findings such as lower cervicomedullary kink level, tectal beaking, and hypoplastic tentorium. Eight studies compared MRI directly to ultrasound, but due to reporting inconsistencies, it was not possible to meta-analyse.
    Conclusion: MRI is able to detect anomalies hitherto underestimated in foetal OSB which may be important for case selection. In view of increasing prenatal OSB surgery, further studies are required to assess developmental consequences of these findings.
    MeSH term(s) Brain/diagnostic imaging ; Female ; Fetus/diagnostic imaging ; Humans ; Infant, Newborn ; Magnetic Resonance Imaging ; Pregnancy ; Spinal Dysraphism/diagnostic imaging ; Ultrasonography, Prenatal
    Language English
    Publishing date 2021-11-18
    Publishing country Germany
    Document type Journal Article ; Meta-Analysis ; Review ; Systematic Review
    ZDB-ID 123305-1
    ISSN 1432-1920 ; 0028-3940
    ISSN (online) 1432-1920
    ISSN 0028-3940
    DOI 10.1007/s00234-021-02853-1
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    In stock of ZB MED Cologne/Königswinter

    Zs.A 658: Show issues Location:
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  6. Article: Structure and inhibition of the SARS-CoV-2 main protease reveals strategy for developing dual inhibitors against M

    Sacco, Michael Dominic / Ma, Chunlong / Lagarias, Panagiotis / Gao, Ang / Townsend, Julia Alma / Meng, Xiangzhi / Dube, Peter / Zhang, Xiujun / Hu, Yanmei / Kitamura, Naoya / Hurst, Brett / Tarbet, Bart / Marty, Michael Thomas / Kolocouris, Antonios / Xiang, Yan / Chen, Yu / Wang, Jun

    bioRxiv : the preprint server for biology

    2020  

    Abstract: The main protease ( ... ...

    Abstract The main protease (M
    Keywords covid19
    Language English
    Publishing date 2020-07-27
    Publishing country United States
    Document type Preprint
    DOI 10.1101/2020.07.27.223727
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  7. Article ; Online: Discovery of SARS-CoV‑2 Papain-like Protease Inhibitors through a Combination of High-Throughput Screening and a FlipGFP-Based Reporter Assay

    Chunlong Ma / Michael Dominic Sacco / Zilei Xia / George Lambrinidis / Julia Alma Townsend / Yanmei Hu / Xiangzhi Meng / Tommy Szeto / Mandy Ba / Xiujun Zhang / Maura Gongora / Fushun Zhang / Michael Thomas Marty / Yan Xiang / Antonios Kolocouris / Yu Chen / Jun Wang

    ACS Central Science, Vol 7, Iss 7, Pp 1245-

    2021  Volume 1260

    Keywords Chemistry ; QD1-999
    Language English
    Publishing date 2021-06-01T00:00:00Z
    Publisher American Chemical Society
    Document type Article ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

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  8. Article ; Online: Discovery of Di- and Trihaloacetamides as Covalent SARS-CoV-2 Main Protease Inhibitors with High Target Specificity.

    Ma, Chunlong / Xia, Zilei / Sacco, Michael Dominic / Hu, Yanmei / Townsend, Julia Alma / Meng, Xiangzhi / Choza, Juliana / Tan, Haozhou / Jang, Janice / Gongora, Maura V / Zhang, Xiujun / Zhang, Fushun / Xiang, Yan / Marty, Michael Thomas / Chen, Yu / Wang, Jun

    Journal of the American Chemical Society

    2021  Volume 143, Issue 49, Page(s) 20697–20709

    Abstract: The main protease ( ... ...

    Abstract The main protease (M
    MeSH term(s) Acetamides/pharmacology ; Animals ; Antiviral Agents/chemistry ; Antiviral Agents/pharmacology ; Cathepsin L/antagonists & inhibitors ; Coronavirus 3C Proteases/antagonists & inhibitors ; Drug Design ; Drug Discovery ; Enzyme Inhibitors/pharmacology ; Humans ; Models, Molecular ; Molecular Dynamics Simulation ; Protease Inhibitors/pharmacology ; SARS-CoV-2/drug effects ; Structure-Activity Relationship ; Substrate Specificity
    Chemical Substances Acetamides ; Antiviral Agents ; Enzyme Inhibitors ; Protease Inhibitors ; 3C-like proteinase, SARS-CoV-2 (EC 3.4.22.-) ; Cathepsin L (EC 3.4.22.15) ; Coronavirus 3C Proteases (EC 3.4.22.28)
    Language English
    Publishing date 2021-12-03
    Publishing country United States
    Document type Journal Article ; Research Support, N.I.H., Extramural ; Research Support, Non-U.S. Gov't
    ZDB-ID 3155-0
    ISSN 1520-5126 ; 0002-7863
    ISSN (online) 1520-5126
    ISSN 0002-7863
    DOI 10.1021/jacs.1c08060
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    In stock of ZB MED Bonn / Germany

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  9. Article ; Online: Expedited Approach toward the Rational Design of Noncovalent SARS-CoV-2 Main Protease Inhibitors.

    Kitamura, Naoya / Sacco, Michael Dominic / Ma, Chunlong / Hu, Yanmei / Townsend, Julia Alma / Meng, Xiangzhi / Zhang, Fushun / Zhang, Xiujun / Ba, Mandy / Szeto, Tommy / Kukuljac, Adis / Marty, Michael Thomas / Schultz, David / Cherry, Sara / Xiang, Yan / Chen, Yu / Wang, Jun

    Journal of medicinal chemistry

    2021  Volume 65, Issue 4, Page(s) 2848–2865

    Abstract: The main protease ( ... ...

    Abstract The main protease (M
    MeSH term(s) Animals ; Antiviral Agents/chemical synthesis ; Antiviral Agents/chemistry ; Antiviral Agents/pharmacology ; COVID-19/metabolism ; Chlorocebus aethiops ; Coronavirus 3C Proteases/antagonists & inhibitors ; Coronavirus 3C Proteases/isolation & purification ; Coronavirus 3C Proteases/metabolism ; Cysteine Proteinase Inhibitors/chemical synthesis ; Cysteine Proteinase Inhibitors/chemistry ; Cysteine Proteinase Inhibitors/pharmacology ; Dose-Response Relationship, Drug ; Drug Design ; Humans ; Microbial Sensitivity Tests ; Models, Molecular ; Molecular Structure ; Proline/analogs & derivatives ; Proline/chemical synthesis ; Proline/chemistry ; Proline/pharmacology ; Pyrrolidines/chemical synthesis ; Pyrrolidines/chemistry ; Pyrrolidines/pharmacology ; SARS-CoV-2/drug effects ; SARS-CoV-2/enzymology ; Sulfonic Acids/chemical synthesis ; Sulfonic Acids/chemistry ; Sulfonic Acids/pharmacology ; Vero Cells ; COVID-19 Drug Treatment
    Chemical Substances Antiviral Agents ; Cysteine Proteinase Inhibitors ; Pyrrolidines ; Sulfonic Acids ; N-(3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl)-3-(2-((((1,1-dimethylethyl)amino)carbonyl)amino)-3,3-dimethyl-1-oxobutyl)-6,6-dimethyl-3-azabicyclo(3.1.0)hexan-2-carboxamide (89BT58KELH) ; Proline (9DLQ4CIU6V) ; 3C-like proteinase, SARS-CoV-2 (EC 3.4.22.-) ; Coronavirus 3C Proteases (EC 3.4.22.28) ; GC376 (H1NMJ5XDG5)
    Language English
    Publishing date 2021-04-23
    Publishing country United States
    Document type Journal Article ; Research Support, N.I.H., Extramural ; Research Support, Non-U.S. Gov't ; Research Support, U.S. Gov't, P.H.S.
    ZDB-ID 218133-2
    ISSN 1520-4804 ; 0022-2623
    ISSN (online) 1520-4804
    ISSN 0022-2623
    DOI 10.1021/acs.jmedchem.1c00509
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    Zs.B 151: Show issues Location:
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    Zs.MB 1: Show issues

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  10. Article ; Online: Boceprevir, GC-376, and calpain inhibitors II, XII inhibit SARS-CoV-2 viral replication by targeting the viral main protease.

    Ma, Chunlong / Sacco, Michael Dominic / Hurst, Brett / Townsend, Julia Alma / Hu, Yanmei / Szeto, Tommy / Zhang, Xiujun / Tarbet, Bart / Marty, Michael Thomas / Chen, Yu / Wang, Jun

    Cell research

    2020  Volume 30, Issue 8, Page(s) 678–692

    Abstract: A new coronavirus SARS-CoV-2, also called novel coronavirus 2019 (2019-nCoV), started to circulate among humans around December 2019, and it is now widespread as a global pandemic. The disease caused by SARS-CoV-2 virus is called COVID-19, which is ... ...

    Abstract A new coronavirus SARS-CoV-2, also called novel coronavirus 2019 (2019-nCoV), started to circulate among humans around December 2019, and it is now widespread as a global pandemic. The disease caused by SARS-CoV-2 virus is called COVID-19, which is highly contagious and has an overall mortality rate of 6.35% as of May 26, 2020. There is no vaccine or antiviral available for SARS-CoV-2. In this study, we report our discovery of inhibitors targeting the SARS-CoV-2 main protease (M
    MeSH term(s) A549 Cells ; Animals ; Antiviral Agents/chemistry ; Antiviral Agents/pharmacology ; Betacoronavirus/enzymology ; COVID-19 ; Caco-2 Cells ; Chlorocebus aethiops ; Coronavirus 3C Proteases ; Coronavirus Infections/metabolism ; Coronavirus Infections/virology ; Cysteine Endopeptidases/chemistry ; Cysteine Endopeptidases/metabolism ; Drug Discovery/methods ; Glycoproteins/pharmacology ; Humans ; Inhibitory Concentration 50 ; Kinetics ; Pandemics ; Pneumonia, Viral/metabolism ; Pneumonia, Viral/virology ; Proline/analogs & derivatives ; Proline/pharmacology ; Protein Conformation ; Pyrrolidines/chemistry ; Pyrrolidines/pharmacology ; SARS-CoV-2 ; Sulfonic Acids ; Vero Cells ; Viral Nonstructural Proteins/antagonists & inhibitors ; Viral Nonstructural Proteins/chemistry ; Viral Nonstructural Proteins/metabolism ; Virus Replication/drug effects
    Chemical Substances Antiviral Agents ; Glycoproteins ; Pyrrolidines ; Sulfonic Acids ; Viral Nonstructural Proteins ; calpain inhibitors ; N-(3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl)-3-(2-((((1,1-dimethylethyl)amino)carbonyl)amino)-3,3-dimethyl-1-oxobutyl)-6,6-dimethyl-3-azabicyclo(3.1.0)hexan-2-carboxamide (89BT58KELH) ; Proline (9DLQ4CIU6V) ; Cysteine Endopeptidases (EC 3.4.22.-) ; Coronavirus 3C Proteases (EC 3.4.22.28) ; GC376 (H1NMJ5XDG5)
    Keywords covid19
    Language English
    Publishing date 2020-06-15
    Publishing country England
    Document type Journal Article ; Research Support, N.I.H., Extramural ; Research Support, Non-U.S. Gov't
    ZDB-ID 1319303-x
    ISSN 1748-7838 ; 1001-0602
    ISSN (online) 1748-7838
    ISSN 1001-0602
    DOI 10.1038/s41422-020-0356-z
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