Evidence map›Paper›PMID 30840169›Full record

ArticleJournal of computer-aided molecular design2019

Significantly different effects of tetrahydroberberrubine enantiomers on dopamine D1/D2 receptors revealed by experimental study and integrated in silico simulation.

Haixia Ge, Yuemin Bian, Xibing He, Xiang-Qun Xie, Junmei Wang

Abstract read
In one paragraph

Article in Journal of computer-aided molecular design, 2019. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 7 papers.

0numbers the graph read from it
0cells of the map it votes in
7citing 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

7 citing papers in PubMed.

  1. Trial
  2. 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

5 authors.

Haixia GeSchool of Life Sciences, Huzhou University, Huzhou, 313000, China. gehaixia@zjhu.edu.cn.
Yuemin BianDepartment of Pharmaceutical Sciences and Computational Chemical Genomics Screening Center, School of Pharmacy, University of Pittsburgh, Pittsburgh, PA, 15261, USA.
Xibing HeDepartment of Pharmaceutical Sciences and Computational Chemical Genomics Screening Center, School of Pharmacy, University of Pittsburgh, Pittsburgh, PA, 15261, USA.
Xiang-Qun XieDepartment of Pharmaceutical Sciences and Computational Chemical Genomics Screening Center, School of Pharmacy, University of Pittsburgh, Pittsburgh, PA, 15261, USA. xix15@pitt.edu.
Junmei WangDepartment of Pharmaceutical Sciences and Computational Chemical Genomics Screening Center, School of Pharmacy, University of Pittsburgh, Pittsburgh, PA, 15261, USA. junmei.wang@pitt.edu.

Funding

NIDA Center of Excellence OF Computational Drug Abuse Research (CDAR)P30DA035778 · NIDA · UNIVERSITY OF PITTSBURGH AT PITTSBURGH · PI BAHAR, IVET, XIE, XIANG-QUN · 2014 to 2018
$5.4M
AMBER force field consortium: a coherent biomolecular simulation platformR01GM079383 · NIGMS · UNIVERSITY OF CALIFORNIA AT DAVIS · PI CIEPLAK, PIOTR, DUAN, YONG · 2007 to 2017
$4.7M
Protein Design Using Physical Scoring Functions integrated with Site CouplingsR21GM097617 · NIGMS · UT SOUTHWESTERN MEDICAL CENTER · PI WANG, JUNMEI · 2011 to 2012
$397k
NIDA NIH HHS P30 DA035778NIGMS NIH HHS R01 GM079383NIGMS NIH HHS R21 GM097617
6 · The paper itself

Abstract

Tetrahydroberberrubine (TU), an active tetrahydroprotoberberines (THPBs), is gaining increasing popularity as a potential candidate for treatment of anxiety and depression. One of its two enantiomers, l-TU, has been reported to be an antagonist of both D1 and D2 receptors, but the functional activity of the other enantiomer, d-TU, is still unknown. In this study, experiments were combined with in silico molecular simulations to (1) confirm and discover the functional activities of l-TU and d-TU, and (2) systematically evaluate the molecular mechanisms beyond the experimental observations. l-TU proved to be an antagonist of both D1 and D2 receptors (IC

Indexed as

AnimalsAnti-Anxiety AgentsAntidepressive AgentsBerberineCHO CellsCricetulusDopamine D2 Receptor AntagonistsDrug DesignHumansLigandsMolecular Dynamics SimulationReceptors, Dopamine D1Receptors, Dopamine D2StereoisomerismAnti-Anxiety AgentsAntidepressive AgentsBerberineDopamine D2 Receptor AntagonistsLigandsReceptors, Dopamine D1Receptors, Dopamine D2tetrahydroberberrubineAntagonistic activityDopamine receptorsMolecular dynamics simulationTetrahydroberberrubine

Identifiers

PMID30840169
PMCPMC6768063

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Registered trials

None linked

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.