Evidence map›Paper›PMID 30463393›Full record

ArticleMolecules (Basel, Switzerland)2018

Virtual Screening, Biological Evaluation, and 3D-QSAR Studies of New HIV-1 Entry Inhibitors That Function via the CD4 Primary Receptor.

Chaozai Zhang, Huijun Zhang, Lina S Huang, Siyu Zhu, Yan Xu, Xing-Quan Zhang, Robert T Schooley, Xiaohong Yang, Ziwei Huang, Jing An

Abstract read
In one paragraph

Article in Molecules (Basel, Switzerland), 2018. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 2 papers.

0numbers the graph read from it
0cells of the map it votes in
2citing 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

2 citing papers in PubMed.

  1. Article
  2. Computational Approaches for Drug Discovery.Molecules (Basel, Switzerland) · 2019
    Article
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

10 authors.

Chaozai ZhangDepartment of Medicine, Division of Infectious Diseases, School of Medicine, University of California San Diego, La Jolla, CA 92037, USA. chaozai2010@hotmail.com.ORCID 0000-0001-5284-1328
Huijun ZhangDepartment of Medicine, Division of Infectious Diseases, School of Medicine, University of California San Diego, La Jolla, CA 92037, USA. zhanghj14@mails.tsinghua.edu.cn.
Lina S HuangDepartment of Medicine, Division of Infectious Diseases, School of Medicine, University of California San Diego, La Jolla, CA 92037, USA. lsh83@cornell.edu.
Siyu ZhuDepartment of Medicine, Division of Infectious Diseases, School of Medicine, University of California San Diego, La Jolla, CA 92037, USA. zhusy14@mails.tsinghua.edu.cn.
Yan XuSchool of Life Sciences, Tsinghua University, Beijing 100084, China. xyupstate@gmail.com.
Xing-Quan ZhangDepartment of Medicine, Division of Infectious Diseases, School of Medicine, University of California San Diego, La Jolla, CA 92037, USA. xiz002@ucsd.edu.
Robert T SchooleyDepartment of Medicine, Division of Infectious Diseases, School of Medicine, University of California San Diego, La Jolla, CA 92037, USA. rschooley@ucsd.edu.
Xiaohong YangSchool of Pharmaceutical Sciences, Jilin University, Changchun 130021, China. xiaohongyang88@126.com.
Ziwei HuangDepartment of Medicine, Division of Infectious Diseases, School of Medicine, University of California San Diego, La Jolla, CA 92037, USA. zhuang@ucsd.edu.
Jing AnDepartment of Medicine, Division of Infectious Diseases, School of Medicine, University of California San Diego, La Jolla, CA 92037, USA. jan@ucsd.edu.

Funding

STRUCTURES AND INTERACTIONS OF CHEMOKINE RECEPTORSR01GM057761 · NIGMS · UPSTATE MEDICAL UNIVERSITY · PI AN, JING, HUANG, ZIWEI · 1998 to 2025
$5.6M
National Institutes of Health GM 57761NIGMS NIH HHS R01 GM057761
6 · The paper itself

Abstract

Human immunodeficiency virus type 1 (HIV-1) is responsible for the majority of HIV infections worldwide, and we still lack a cure for this infection. Blocking the interaction of HIV-1 and its primary receptor CD4 is one strategy for identifying new anti-HIV-1 entry inhibitors. Here we report the discovery of a novel ligand that can inhibit HIV-1 entry and infection via CD4. Biological and computational analyses of this inhibitor and its analogs, using bioactivity evaluation, Rule of Five (RO5), comparative molecular field analysis (CoMFA)/comparative molecular similarity index analysis (CoMSIA) models, and three-dimensional quantitative structure-activity relationship (3D-QSAR), singled out compound

Indexed as

Anti-HIV AgentsBinding SitesCD4 AntigensCell LineComputational BiologyComputer SimulationDrug DesignDrug Evaluation, PreclinicalHIV-1HumansModels, MolecularMolecular Docking SimulationMolecular StructureProtein BindingQuantitative Structure-Activity RelationshipVirus InternalizationAnti-HIV AgentsCD4 Antigens3D-QSARCD4entry inhibitorHIV-1virtual screening

Identifiers

PMID30463393
PMCPMC6278378

What OpenQuestion holds

Textmetadata
LicenceCC BY
Read underepoch 390

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.