Evolutions in fragment-based drug design: the deconstruction-reconstruction approach (Q35009555)

5 August 2017

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title

Evolutions in fragment-based drug design: the deconstruction-reconstruction approach (English)

1 reference

5 August 2017

Haijun Chen

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5 August 2017

Xiaobin Zhou

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5 August 2017

Ailan Wang

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5 August 2017

Yunquan Zheng

1 reference

5 August 2017

Yu Gao

1 reference

5 August 2017

Jia Zhou

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5 August 2017

publication date

27 September 2014

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5 August 2017

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5 August 2017

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5 August 2017

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5 August 2017

page(s)

105-113

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Discovery of potent anticancer agent HJC0416, an orally bioavailable small molecule inhibitor of signal transducer and activator of transcription 3 (STAT3).

5 August 2017

cites work

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Structure of the σ1 receptor and its ligand binding site.

8 July 2018

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The 'rule of three' for fragment-based drug discovery: where are we now?

8 July 2018

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Protein crystallography and fragment-based drug design.

8 July 2018

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Discovery of novel STAT3 small molecule inhibitors via in silico site-directed fragment-based drug design

8 July 2018

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NMR-based analysis of protein-ligand interactions

8 July 2018

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Learning from our mistakes: the 'unknown knowns' in fragment screening

8 July 2018

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Serotonergic drugs for depression and beyond

8 July 2018

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Fragment-based drug design and identification of HJC0123, a novel orally bioavailable STAT3 inhibitor for cancer therapy.

8 July 2018

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From small to powerful: the fragments universe and its "chem-appeal".

8 July 2018

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A combined bioinformatics and chemoinformatics approach for developing asymmetric bivalent AMPA receptor positive allosteric modulators as neuroprotective agents

8 July 2018

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Vemurafenib: the first drug approved for BRAF-mutant cancer

8 July 2018

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Fragment based drug design: from experimental to computational approaches.

8 July 2018

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Experiences in fragment-based drug discovery

8 July 2018

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Targeting protein-protein interactions and fragment-based drug discovery.

8 July 2018

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Emerging role of surface plasmon resonance in fragment-based drug discovery.

8 July 2018

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Introduction to Fragment-Based Drug Discovery

8 July 2018

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https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4305461

Computational medicinal chemistry in fragment-based drug discovery: what, how and when.

8 July 2018

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Protein Thermal Shifts to Identify Low Molecular Weight Fragments

8 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4305461

The novel triple reuptake inhibitor JZAD-IV-22 exhibits an antidepressant pharmacological profile without locomotor stimulant or sensitization properties

8 July 2018

1 reference

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Structural biology in fragment-based drug design

8 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4305461

Contributions of computational chemistry and biophysical techniques to fragment-based drug discovery

8 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4305461

Fragment-based approach to drug lead discovery: overview and advances in various techniques

8 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4305461

Recent developments in fragment-based drug discovery

8 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4305461

Structure-Based Dissection of the Natural Product Cyclopentapeptide Chitinase Inhibitor Argifin

8 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4305461

SPR-based fragment screening: advantages and applications

8 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4305461

A decade of fragment-based drug design: strategic advances and lessons learned

8 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4305461

Probing hot spots at protein-ligand binding sites: a fragment-based approach using biophysical methods

8 July 2018

1 reference

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Hit discovery and hit-to-lead approaches

8 July 2018

1 reference

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Applications of ESI-MS in drug discovery: interrogation of noncovalent complexes

8 July 2018

1 reference

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On the attribution and additivity of binding energies

8 July 2018

1 reference

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Applications of mass spectrometry in early stages of target based drug discovery

8 July 2018

1 reference

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Pharmacophore identification for sigma-1 (sigma1) receptor binding: application of the "deconstruction-reconstruction-elaboration" approach

8 July 2018

1 reference

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Library design for fragment based screening

8 July 2018

1 reference

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Piperidine-based nocaine/modafinil hybrid ligands as highly potent monoamine transporter inhibitors: efficient drug discovery by rational lead hybridization.

8 July 2018

1 reference

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Theory and applications of NMR-based screening in pharmaceutical research

8 July 2018

1 reference

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Evaluation of fluorescence-based thermal shift assays for hit identification in drug discovery

8 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4305461

Tethering: fragment-based drug discovery

8 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4305461

A ‘Rule of Three’ for fragment-based lead discovery?

8 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4305461

Molecular properties that influence the oral bioavailability of drug candidates

8 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4305461

High-density miniaturized thermal shift assays as a general strategy for drug discovery

8 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4305461

Direct measurement of protein binding energetics by isothermal titration calorimetry

8 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4305461

Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings

8 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4305461

Discovering high-affinity ligands for proteins: SAR by NMR

8 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4305461

Fragment screening by biochemical assay.

8 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4305461

Fragment-based lead discovery grows up.

26 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4305461

Design, synthesis, and pharmacological evaluation of benzamide derivatives as glucokinase activators.

26 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4305461

Binding evaluation of fragment-based scaffolds for probing allosteric enzymes.

26 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4305461

Combination of two pharmacophoric systems: synthesis and pharmacological evaluation of spirocyclic pyranopyrazoles with high σ₁ receptor affinity.

26 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4305461

Adding calorimetric data to decision making in lead discovery: a hot tip

26 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4305461

Fragment-based drug design: how big is too big?

26 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4305461

Puzzling through fragment-based drug design.

26 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4305461

Fragment-based lead discovery using X-ray crystallography.

26 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4305461

Fragment-Based Drug Discovery

26 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4305461

Characteristic physical properties and structural fragments of marketed oral drugs.

26 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4305461

Fragment-based deconstruction of Bcl-xL inhibitors

26 October 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/25263697

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Deconstructing fragment-based inhibitor discovery

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/25263697

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Fragment screening: an introduction

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/25263697

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1016/J.DRUDIS.2014.09.015

1 reference

5 August 2017

1 reference

5 August 2017

1 reference