Evidence map›Paper›PMID 25221444›Full record

ArticleJournal of chemical theory and computation2014

Use of Broken-Symmetry Density Functional Theory To Characterize the IspH Oxidized State: Implications for IspH Mechanism and Inhibition.

Patrick G Blachly, Gregory M Sandala, Debra Ann Giammona, Tiqing Liu, Donald Bashford, J Andrew McCammon, Louis Noodleman

Abstract read
In one paragraph

Article in Journal of chemical theory and computation, 2014. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 6 papers.

0numbers the graph read from it
0cells of the map it votes in
6citing papers in PubMed
–field-weighted citation impact
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

6 citing papers in PubMed.

  1. Review
  2. Article
  3. Article
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4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

7 authors.

Patrick G BlachlyDepartment of Chemistry and Biochemistry, University of California San Diego , 9500 Gilman Drive, Mail Code 0365, La Jolla, California 92093-0365, United States.
Gregory M SandalaDepartment of Chemistry and Biochemistry, Mount Allison University , 63C York Street, Sackville, New Brunswick E4L 1G8, Canada.
Debra Ann GiammonaDepartment of Structural Biology, St. Jude Children's Research Hospital , 262 Danny Thomas Place, Memphis, Tennessee 38105, United States.
Tiqing LiuSkaggs School of Pharmacy and Pharmaceutical Sciences, Howard Hughes Medical Institute, and Department of Pharmacology, University of California San Diego , La Jolla, California 92093-0365, United States.
Donald BashfordDepartment of Structural Biology, St. Jude Children's Research Hospital , 262 Danny Thomas Place, Memphis, Tennessee 38105, United States.
J Andrew McCammonDepartment of Chemistry and Biochemistry, University of California San Diego , 9500 Gilman Drive, Mail Code 0365, La Jolla, California 92093-0365, United States ; Skaggs School of Pharmacy and Pharmaceutical Sciences, Howard Hughes Medical Institute, and Department of Pharmacology, University of California San Diego , La Jolla, California 92093-0365, United States ; Skaggs School of Pharmacy and Pharmaceutical Sciences, Howard Hughes Medical Institute, and Department of Pharmacology, University of California San Diego , La Jolla, California 92093-0365, United States.
Louis NoodlemanDepartment of Integrative Structural and Computational Biology, The Scripps Research Institute , TPC15, 10550 North Torrey Pines Road, La Jolla, California 92037, United States.

Funding

THEORY OF BIOMOLECULAR DIFFUSIONR01GM031749 · NIGMS · UNIVERSITY OF HOUSTON · PI HUBER, GARY ALEXANDER, MCCAMMON, JAMES ANDREW · 1985 to 2022
$7.8M
MOLECULAR BIOPHYSICS TRAINING PROGRAMT32GM008326 · NIGMS · UNIVERSITY OF CALIFORNIA, SAN DIEGO · PI KOMIVES, ELIZABETH A. · 1989 to 2020
$7.5M
Quantum Chemistry of Proton Pumping by Cytochrome c OxidasesR01GM100934 · NIGMS · SCRIPPS RESEARCH INSTITUTE, THE · PI NOODLEMAN, LOUIS · 2012 to 2020
$3.1M
Development and Maintenance of the MEAD Software SuiteR01GM086243 · NIGMS · ST. JUDE CHILDREN'S RESEARCH HOSPITAL · PI BASHFORD, DONALD E. · 2009 to 2012
$1.2M
NIGMS NIH HHS R01 GM031749NIGMS NIH HHS R01 GM086243NIGMS NIH HHS R01 GM100934NIGMS NIH HHS T32 GM008326
6 · The paper itself

Abstract

With current therapies becoming less efficacious due to increased drug resistance, new inhibitors of both bacterial and malarial targets are desperately needed. The recently discovered methylerythritol phosphate (MEP) pathway for isoprenoid synthesis provides novel targets for the development of such drugs. Particular attention has focused on the IspH protein, the final enzyme in the MEP pathway, which uses its [4Fe-4S] cluster to catalyze the formation of the isoprenoid precursors IPP and DMAPP from HMBPP. IspH catalysis is achieved via a 2

Identifiers

PMID25221444
PMCPMC4159220

What OpenQuestion holds

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Registered trials

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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.