Open Source Drug Discovery: Highly Potent Antimalarial Compounds Derived from the Tres Cantos Arylpyrroles (Q26883657)

25

0 references

Matthew H. Todd

53

0 references

Guri Giaever

22

0 references

Corey Nislow

32

0 references

George Papadatos

34

0 references

Alice Motion

1

0 references

Peter Turner

45

Peter Turner

0 references

Patrick Thomson

Patrick Thomson

44

0 references

Andrea Ruecker

Andrea Ruecker

38

0 references

Stephan Meister

Stephan Meister

31

0 references

Michael Delves

Michael Delves

17

0 references

John P. Overington

John P. Overington

33

0 references

Matthew J. Tarnowski

Matthew J. Tarnowski

43

0 references

Sandra Duffy

Sandra Duffy

20

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Luc Patiny

Luc Patiny

35

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Sergio Wittlin

52

Sergio Wittlin

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Jeremy Burrows

9

Jeremy N. Burrows

0 references

Jonathan B Baell

Jonathan B. Baell

6

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Susan A. Charman

Susan A. Charman

12

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Vicky M. Avery

Vicky Avery

5

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R. Kiplin Guy

26

R. Kiplin Guy

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Stuart A Ralph

37

Stuart A. Ralph

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Elizabeth Winzeler

51

Elizabeth A. Winzeler

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Francisco Javier Gamo

24

Francisco-Javier Gamo

0 references

Karen White

48

Karen White

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Sabine Fletcher

21

Sabine Fletcher

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Irene Hallyburton

23

Irene Hallyburton

0 references

Iain M Wallace

46

Iain M. Wallace

0 references

author name string

Paul M. Ylioja

2

0 references

Murray N. Robertson

3

0 references

Yevgeniya Antonova-Koch

4

0 references

Harikrishna Batchu

7

0 references

Sanjay Batra

8

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Soumya Bhattacharyya

10

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Felix Calderon

11

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Julie Clark

13

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Benigno Crespo

14

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Matin Dean

15

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Stefan L. Debbert

16

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Adelaide S. M. Dennis

18

0 references

Frederik Deroose

19

0 references

Zoe Hungerford

27

0 references

Kiaran Kirk

28

0 references

Maria J. Lafuente-Monasterio

29

0 references

Anna Lee

30

0 references

James Pham

36

0 references

Eileen Ryan

39

0 references

Kumkum Srivastava

41

0 references

Chris Swain

42

0 references

Peter Turner

45

0 references

Timothy N. C. Wells

47

0 references

Laura White

49

0 references

Paul Willis

Wikipedia Chemical Structure Explorer: substructure and similarity searching of molecules from Wikipedia

50

0 references

language of work or name

English

0 references

publication date

14 September 2016

0 references

1 reference

2

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issue

10

0 references

page(s)

687-701

0 references

cites work

1 reference

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Antimalarial drug discovery - approaches and progress towards new medicines.

21 March 2017

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Absence of detectable arsenate in DNA from arsenate-grown GFAJ-1 cells

21 March 2017

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Emergence of artemisinin-resistant malaria on the western border of Thailand: a longitudinal study

21 March 2017

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Discovery, synthesis and SAR analysis of novel selective small molecule S1P4-R agonists based on a (2Z,5Z)-5-((pyrrol-3-yl)methylene)-3-alkyl-2-(alkylimino)thiazolidin-4-one chemotype

21 March 2017

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Resolution of praziquantel

21 March 2017

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Open science is a research accelerator

21 March 2017

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Thousands of chemical starting points for antimalarial lead identification

21 March 2017

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Artemisinin Resistance in Plasmodium falciparum Malaria

21 March 2017

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Changes in the treatment responses to artesunate-mefloquine on the northwestern border of Thailand during 13 years of continuous deployment

21 March 2017

1 reference

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Gene set enrichment analysis: a knowledge-based approach for interpreting genome-wide expression profiles

21 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5084075

Finding cures for tropical diseases: is open source an answer?

21 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5084075

Open Source Drug Discovery with the Malaria Box Compound Collection for Neglected Diseases and Beyond

21 March 2017

1 reference

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Mutations in the P-Type Cation-Transporter ATPase 4, PfATP4, Mediate Resistance to Both Aminopyrazole and Spiroindolone Antimalarials

21 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5084075

Targeting Plasmodium PI(4)K to eliminate malaria

21 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5084075

PfSETvs methylation of histone H3K36 represses virulence genes in Plasmodium falciparum

21 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5084075

Na(+) regulation in the malaria parasite Plasmodium falciparum involves the cation ATPase PfATP4 and is a target of the spiroindolone antimalarials

21 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5084075

Imaging of Plasmodium Liver Stages to Drive Next-Generation Antimalarial Drug Discovery

21 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5084075

P. falciparum in vitro killing rates allow to discriminate between different antimalarial mode-of-action

21 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5084075

Structural annotation of Mycobacterium tuberculosis proteome

21 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5084075

Innovative partnerships for drug discovery against neglected diseases

21 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5084075

How to improve R&D productivity: the pharmaceutical industry's grand challenge

21 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5084075

A kernel for open source drug discovery in tropical diseases

21 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5084075

Chemical-genetic profiling of imidazo[1,2-a]pyridines and -pyrimidines reveals target pathways conserved between yeast and human cells

21 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5084075

The Pharmaceutical Commons: Sharing and Exclusion in Global Health Drug Development

21 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5084075

Pyrazoleamide compounds are potent antimalarials that target Na+ homeostasis in intraerythrocytic Plasmodium falciparum

21 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5084075

Target prediction for an open access set of compounds active against Mycobacterium tuberculosis

21 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5084075

Open source drug discovery - a limited tutorial

21 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5084075

Chemical genetics of Plasmodium falciparum

21 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5084075

New substructure filters for removal of pan assay interference compounds (PAINS) from screening libraries and for their exclusion in bioassays

7 April 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5084075

KNIME Workflow to Assess PAINS Filters in SMARTS Format. Comparison of RDKit and Indigo Cheminformatics Libraries

7 April 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5084075

Malaria medicines: a glass half full?

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5084075

Efficacy and safety of RTS,S/AS01 malaria vaccine with or without a booster dose in infants and children in Africa: final results of a phase 3, individually randomised, controlled trial

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5084075

(+)-SJ733, a clinical candidate for malaria that acts through ATP4 to induce rapid host-mediated clearance of Plasmodium.

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5084075

A male and female gametocyte functional viability assay to identify biologically relevant malaria transmission-blocking drugs

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5084075

Diverse chemotypes disrupt ion homeostasis in the Malaria parasite

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5084075

Spiroindolone KAE609 for falciparum and vivax malaria

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5084075

A Divergent SAR Study Allows Optimization of a Potent 5-HT2c Inhibitor to a Promising Antimalarial Scaffold

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5084075

Cyclopropyl Carboxamides: A New Oral Antimalarial Series Derived from the Tres Cantos Anti-Malarial Set (TCAMS).

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5084075

An Invitation to Open Innovation in Malaria Drug Discovery: 47 Quality Starting Points from the TCAMS

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5084075

Screening and hit evaluation of a chemical library against blood-stage Plasmodium falciparum

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5084075

Repositioning: the fast track to new anti-malarial medicines?

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5084075

Mapping the cellular response to small molecules using chemogenomic fitness signatures

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5084075

Persistence and activation of malaria hypnozoites in long-term primary hepatocyte cultures

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5084075

Identification of inhibitors of Plasmodium falciparum gametocyte development

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5084075

Structure-activity relationship studies of pyrrolone antimalarial agents

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5084075

Discovery and structure-activity relationships of pyrrolone antimalarials

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5084075

Four-year efficacy of RTS,S/AS01E and its interaction with malaria exposure

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5084075

Dynamic epigenetic regulation of gene expression during the life cycle of malaria parasite Plasmodium falciparum

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5084075

Locating sweet spots for screening hits and evaluating pan-assay interference filters from the performance analysis of two lead-like libraries

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5084075

Creative Commons and the openness of open access

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5084075

Diagnosing the decline in pharmaceutical R&D efficiency

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5084075

Anti-malarial drugs: how effective are they against Plasmodium falciparum gametocytes?

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5084075

Cyclopropyl carboxamides, a chemically novel class of antimalarial agents identified in a phenotypic screen

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5084075

Common characteristics of open source software development and applicability for drug discovery: a systematic review

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5084075

Open source drug discovery--a new paradigm of collaborative research in tuberculosis drug development.

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5084075

From in silico target prediction to multi-target drug design: current databases, methods and applications

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5084075

The resurgence of covalent drugs

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5084075

Observations on screening-based research and some concerning trends in the literature

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5084075

The importance of new companies for drug discovery: origins of a decade of new drugs

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5084075

When pharmaceutical companies publish large datasets: an abundance of riches or fool's gold?

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5084075

Apparent activity in high-throughput screening: origins of compound-dependent assay interference

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5084075

Can open-source drug R&D repower pharmaceutical innovation?

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5084075

A kernel for the Tropical Disease Initiative

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5084075

Fishing the target of antitubercular compounds: in silico target deconvolution model development and validation

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5084075

In silico activity profiling reveals the mechanism of action of antimalarials discovered in a high-throughput screen

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5084075

India takes an open source approach to drug discovery

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5084075

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5084075

Can open-source R&D reinvigorate drug research?

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5084075

The case for open-source software in drug discovery

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5084075

The use of bioisosteric groups in lead optimization

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5084075

Early identification of hERG liability in drug discovery programs by automated patch clamp

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5084075

The role of ligand efficiency metrics in drug discovery.

31 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5084075

Rules for identifying potentially reactive or promiscuous compounds

28 November 2018

1 reference

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Oxadiazoles in medicinal chemistry.

28 November 2018

1 reference

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Privileged Scaffolds or Promiscuous Binders: A Comparative Study on Rhodanines and Related Heterocycles in Medicinal Chemistry

28 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5084075

Design, synthesis and pharmacological screening of novel antihypertensive agents using hybrid approach.

28 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5084075

ALARM NMR: a rapid and robust experimental method to detect reactive false positives in biochemical screens

28 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5084075

Malarial dihydroorotate dehydrogenase. Substrate and inhibitor specificity.

28 November 2018

1 reference

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Esterase activities in the blood, liver and intestine of several preclinical species and humans

28 November 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/27800551

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Challenges for academic drug discovery

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/27800551

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Experiences with a researcher-centric ELN.

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/27800551