Evidence map›Paper›PMID 32930882›Full record

ArticleJournal of molecular modeling2020

Computational study of the substituent effect of halogenated fused-ring heteroaromatics on halogen bonding.

Qihua Zhang, Adam Smalley, Zhengdan Zhu, Zhijian Xu, Cheng Peng, Zhaoqiang Chen, Guangmin Yao, Jiye Shi, Weiliang Zhu

Abstract read
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In one paragraph

Article in Journal of molecular modeling, 2020. 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
1.1field-weighted citation impact, top 21% of its field
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, 5 citations in OpenAlex.

  1. Article
  2. 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

9 authors at 3 institutions in 2 countries.

Qihua ZhangSchool of Pharmacy, Tongji Medical College, Huazhong University of Science and Technology, Wuhan, 430030, China.
Adam SmalleyUCB Pharma, 208 Bath Road, Slough, SL1 3WE, UK.
Zhengdan ZhuCAS Key Laboratory of Receptor Research; Drug Discovery and Design Center, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, Shanghai, 201203, China.
Zhijian XuCAS Key Laboratory of Receptor Research; Drug Discovery and Design Center, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, Shanghai, 201203, China.
Cheng PengCAS Key Laboratory of Receptor Research; Drug Discovery and Design Center, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, Shanghai, 201203, China.
Zhaoqiang ChenCAS Key Laboratory of Receptor Research; Drug Discovery and Design Center, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, Shanghai, 201203, China.
Guangmin YaoSchool of Pharmacy, Tongji Medical College, Huazhong University of Science and Technology, Wuhan, 430030, China. gyap@mail.hust.edu.cn.
Jiye ShiUCB Pharma, 208 Bath Road, Slough, SL1 3WE, UK.
Weiliang ZhuCAS Key Laboratory of Receptor Research; Drug Discovery and Design Center, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, Shanghai, 201203, China. wlzhu@simm.ac.cn.ORCID https://orcid.org/0000-0001-6699-5299
Chinese Academy of Sciences · CNUCB Pharma (United Kingdom) · GBHuazhong University of Science and Technology · CN

Funding

National Key New Drug Creation and Manufacturing Program, Ministry of Science and Technology 2018ZX09711002National Natural Science Foundation of China 31870717
6 · The paper itself

Abstract

Halogen bonding (XB) has been applied in many fields from crystal engineering to medicinal chemistry. Compared with the well-studied XB of simple halogenated aromatics, little research has been done on the XB of halogenated fused-ring heteroaromatics, a prevalent substructure in organic compounds. With 1H-pyrrolo[3,2-b]pyridines (PPs) as examples of novel fused-ring heteroaromatics with hydrogen bond donor and acceptor and XB donor, the XB formed by the halogenated heteroaromatics was explored in this study. With 4 different substituents, viz., -CH

Indexed as

Binding energyElectrostatic potentialFused-ring heteroaromaticsHalogen bondingQuantum chemistry calculationσ-hole

Identifiers

PMID32930882
OpenAlexW3085851707

What OpenQuestion holds

Textmetadata
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.