Synergistic inhibitor binding to the papain-like protease of human SARS coronavirus: mechanistic and inhibitor design implications (Q34780031)

4 August 2017

Synergistic inhibitor binding to the papain-like protease of human SARS coronavirus: mechanistic and inhibitor design implications (English)

1 reference

4 August 2017

0 references

1 reference

1 reference

Hyun Lee

1

1 reference

4 August 2017

Shuyi Cao

2

1 reference

4 August 2017

Kirk E Hevener

3

1 reference

4 August 2017

Lena Truong

4

1 reference

4 August 2017

Joseph L Gatuz

5

1 reference

4 August 2017

Kavankumar Patel

6

1 reference

4 August 2017

Arun K Ghosh

7

1 reference

4 August 2017

Michael E Johnson

8

1 reference

4 August 2017

20 June 2013

1 reference

4 August 2017

1 reference

4 August 2017

8

1 reference

4 August 2017

8

1 reference

4 August 2017

1361-1372

1 reference

MMPBSA.py: An Efficient Program for End-State Free Energy Calculations

4 August 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3954986

Genomic characterization of a newly discovered coronavirus associated with acute respiratory distress syndrome in humans

7 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3954986

Severe respiratory illness caused by a novel coronavirus, in a patient transferred to the United Kingdom from the Middle East, September 2012.

7 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3954986

Isolation of a novel coronavirus from a man with pneumonia in Saudi Arabia

7 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3954986

FTMAP: extended protein mapping with user-selected probe molecules

7 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3954986

Experiences in fragment-based drug discovery

7 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3954986

Design and synthesis of novel lactate dehydrogenase A inhibitors by fragment-based lead generation

7 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3954986

Human Coronaviruses HCoV-NL63 and HCoV-HKU1 in Hospitalized Children with Acute Respiratory Infections in Beijing, China

7 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3954986

Human coronavirus NL63: a clinically important virus?

7 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3954986

Severe Acute Respiratory Syndrome Coronavirus Papain-like Novel Protease Inhibitors: Design, Synthesis, Protein−Ligand X-ray Structure and Biological Evaluation

7 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3954986

Structural biology in fragment-based drug design

7 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3954986

Application of fragment-based NMR screening, X-ray crystallography, structure-based design, and focused chemical library design to identify novel microM leads for the development of nM BACE-1 (beta-site APP cleaving enzyme 1) inhibitors

7 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3954986

Structure-based design, synthesis, and biological evaluation of a series of novel and reversible inhibitors for the severe acute respiratory syndrome-coronavirus papain-like protease

7 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3954986

A noncovalent class of papain-like protease/deubiquitinase inhibitors blocks SARS virus replication

7 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3954986

Design, synthesis and antiviral efficacy of a series of potent chloropyridyl ester-derived SARS-CoV 3CLpro inhibitors

7 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3954986

Structure-based design, synthesis, and biological evaluation of peptidomimetic SARS-CoV 3CLpro inhibitors

7 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3954986

Drug design targeting the main protease, the Achilles' heel of coronaviruses

7 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3954986

The novel human coronaviruses NL63 and HKU1.

7 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3954986

Extra precision glide: docking and scoring incorporating a model of hydrophobic enclosure for protein-ligand complexes

7 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3954986

Comparison of multiple Amber force fields and development of improved protein backbone parameters

7 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3954986

Severe acute respiratory syndrome coronavirus papain-like protease: structure of a viral deubiquitinating enzyme

7 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3954986

Automatic atom type and bond type perception in molecular mechanical calculations

7 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3954986

The papain-like protease of severe acute respiratory syndrome coronavirus has deubiquitinating activity

7 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3954986

Severe acute respiratory syndrome coronavirus-like virus in Chinese horseshoe bats

7 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3954986

Discovery of potent anilide inhibitors against the severe acute respiratory syndrome 3CL protease

7 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3954986

Characterization and complete genome sequence of a novel coronavirus, coronavirus HKU1, from patients with pneumonia

7 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3954986

Identification of severe acute respiratory syndrome coronavirus replicase products and characterization of papain-like protease activity

7 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3954986

Development and testing of a general amber force field

7 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3954986

A previously undescribed coronavirus associated with respiratory disease in humans

7 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3954986

Identification of a new human coronavirus

7 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3954986

Coronavirus as a possible cause of severe acute respiratory syndrome

7 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3954986

A novel coronavirus associated with severe acute respiratory syndrome

7 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3954986

Identification of a novel coronavirus in patients with severe acute respiratory syndrome

7 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3954986

Fast, efficient generation of high-quality atomic charges. AM1-BCC model: II. Parameterization and validation

7 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3954986

Fast Calculation of Molecular Polar Surface Area as a Sum of Fragment-Based Contributions and Its Application to the Prediction of Drug Transport Properties

7 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3954986

Discovering high-affinity ligands for proteins: SAR by NMR

7 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3954986

Design and synthesis of peptidomimetic severe acute respiratory syndrome chymotrypsin-like protease inhibitors

7 July 2018

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.201300134

Synthesis and evaluation of keto-glutamine analogues as potent inhibitors of severe acute respiratory syndrome 3CLpro

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.201300134

Structural variations in keto-glutamines for improved inhibition against hepatitis A virus 3C proteinase

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.201300134

Thiopurine analogues inhibit papain-like protease of severe acute respiratory syndrome coronavirus.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.201300134

Diarylheptanoids from Alnus japonica inhibit papain-like protease of severe acute respiratory syndrome coronavirus.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.201300134

Ligand efficiency indices as guideposts for drug discovery.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.201300134

Ligand efficiency indices for an effective mapping of chemico-biological space: the concept of an atlas-like representation.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.201300134

Polar molecular surface properties predict the intestinal absorption of drugs in humans.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.201300134

Prediction of drug absorption using multivariate statistics

21 January 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/23788528

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1002/CMDC.201300134

1 reference

4 August 2017

1 reference

4 August 2017

1 reference