(Q28547166)

21 June 2017

title

Pharmacophore modeling for anti-Chagas drug design using the fragment molecular orbital method (English)

1 reference

Emmanuel Oluwadare Balogun

21 June 2017

0 references

0 references

Masakazu Sekijima

15

0 references

Emmanuel Oluwadare Balogun

11

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Daniel Ken Inaoka

Daniel Ken Inaoka

3

0 references

Carlos Alberto Montanari

Carlos Alberto Montanari

13

0 references

Kiyoshi Kita

Kiyoshi Kita

14

0 references

author name string

Ryunosuke Yoshino

1

1 reference

21 June 2017

Nobuaki Yasuo

2

1 reference

21 June 2017

Yohsuke Hagiwara

4

1 reference

21 June 2017

Kazuki Ohno

5

1 reference

21 June 2017

Masaya Orita

6

1 reference

21 June 2017

Masayuki Inoue

7

1 reference

21 June 2017

Tomoo Shiba

8

1 reference

21 June 2017

Shigeharu Harada

9

1 reference

21 June 2017

Teruki Honma

10

1 reference

21 June 2017

Josmar Rodrigues da Rocha

12

1 reference

21 June 2017

language of work or name

English

0 references

publication date

11 May 2015

1 reference

21 June 2017

1 reference

21 June 2017

volume

10

1 reference

21 June 2017

issue

5

1 reference

21 June 2017

page(s)

e0125829

1 reference

Creative Commons Attribution 4.0 International

21 June 2017

copyright license

start time

11 May 2015

1 reference

April 2022 Public Data File from Crossref

copyright status

copyrighted

0 references

cites work

Structure-Guided Lead Optimization of Triazolopyrimidine-Ring Substituents Identifies Potent Plasmodium falciparum Dihydroorotate Dehydrogenase Inhibitors with Clinical Candidate Potential

1 reference

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Prediction of cyclin-dependent kinase 2 inhibitor potency using the fragment molecular orbital method

19 March 2017

1 reference

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Structure-based design, synthesis, and characterization of inhibitors of human and Plasmodium falciparum dihydroorotate dehydrogenases

19 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4427443

The importance of CH/pi hydrogen bonds in rational drug design: An ab initio fragment molecular orbital study to leukocyte-specific protein tyrosine (LCK) kinase

19 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4427443

Structures of Trypanosoma cruzi dihydroorotate dehydrogenase complexed with substrates and products: atomic resolution insights into mechanisms of dihydroorotate oxidation and fumarate reduction

19 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4427443

Coot: model-building tools for molecular graphics

19 March 2017

1 reference

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Refinement of macromolecular structures by the maximum-likelihood method

19 March 2017

1 reference

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Structures of human dihydroorotate dehydrogenase in complex with antiproliferative agents

19 March 2017

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19 March 2017

1 reference

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Importance of CH/π hydrogen bonds in recognition of the core motif in proline-recognition domains: an ab initio fragment molecular orbital study

7 April 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4427443

Pharmacophore-based similarity scoring for DOCK

9 May 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4427443

Bioisosteric transformations and permutations in the triazolopyrimidine scaffold to identify the minimum pharmacophore required for inhibitory activity against Plasmodium falciparum dihydroorotate dehydrogenase

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4427443

Computational insights into binding of bisphosphates to farnesyl pyrophosphate synthase

29 September 2017

1 reference

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Advances in Chagas disease drug development: 2009-2010

29 September 2017

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Plasmodium dihydroorotate dehydrogenase: a promising target for novel anti-malarial chemotherapy

29 September 2017

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Chagas disease: a Latin American health problem becoming a world health problem

29 September 2017

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Molecular typing of Trypanosoma cruzi isolates, United States

29 September 2017

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Mode of action of natural and synthetic drugs against Trypanosoma cruzi and their interaction with the mammalian host.

29 September 2017

1 reference

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Progresses in the field of drug design to combat tropical protozoan parasitic diseases

29 September 2017

1 reference

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PCR-based screening and lineage identification of Trypanosoma cruzi directly from faecal samples of triatomine bugs from northwestern Argentina

29 September 2017

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Recent developments in the identification of chemotherapeutics for Chagas disease

29 September 2017

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29 September 2017

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The immunosuppressive metabolite of leflunomide is a potent inhibitor of human dihydroorotate dehydrogenase

29 September 2017

1 reference

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The challenge of chagasic cardiomyopathy. The pathologic roles of autonomic abnormalities, autoimmune mechanisms and microvascular changes, and therapeutic implications

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4427443

Chemotherapy of parasitic infections

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4427443

Processing of X-ray diffraction data collected in oscillation mode

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4427443

Compound Design by Fragment-Linking

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4427443

Nova tripanozomiaze humana: estudos sobre a morfolojia e o ciclo evolutivo do Schizotrypanum cruzi n. gen., n. sp., ajente etiolojico de nova entidade morbida do homem

3 June 2018

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The origin of dihydroorotate dehydrogenase genes of kinetoplastids, with special reference to their biological significance and adaptation to anaerobic, parasitic conditions

21 January 2018

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Glossary of terms used in medicinal chemistry (IUPAC Recommendations 1998)

21 January 2018

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CH/pi hydrogen bonds determine the selectivity of the Src homology 2 domain to tyrosine phosphotyrosyl peptides: an ab initio fragment molecular orbital study

21 January 2018

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Dihydrooxonate is a substrate of dihydroorotate dehydrogenase (DHOD) providing evidence for involvement of cysteine and serine residues in base catalysis

21 January 2018

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Three- and four-body corrected fragment molecular orbital calculations with a novel subdividing fragmentation method applicable to structure-based drug design

21 January 2018

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General atomic and molecular electronic structure system

21 January 2018

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Helicobacter pylori-selective antibacterials based on inhibition of pyrimidine biosynthesis

21 January 2018

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12 December 2020

The role of fluorine atoms in a fluorinated prostaglandin agonist

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12 December 2020

Pair interaction energy decomposition analysis

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12 December 2020

Discovery of diverse human dihydroorotate dehydrogenase inhibitors as immunosuppressive agents by structure-based virtual screening

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12 December 2020

CH/π hydrogen bonds play a role in ligand recognition and equilibrium between active and inactive states of the β2 adrenergic receptor: an ab initio fragment molecular orbital (FMO) study

1 reference

12 December 2020

10.1371/JOURNAL.PONE.0125829

Identifiers

DOI

1 reference

OpenCitations bibliographic resource ID

21 June 2017

0 references

4931236

1 reference

Consolidated OpenCitations Corpus – April 2017

OpenCitations bibliographic resource ID

1 reference

Consolidated OpenCitations Corpus – April 2017

OpenCitations bibliographic resource ID

4931236

1 reference