Evidence map›Paper›PMID 30108845›Full record

ArticleMedChemComm2017

A structurally guided dissection-then-evolution strategy for ligand optimization of smoothened receptor.

Lintao Ye, Kang Ding, Fei Zhao, Xiaoyan Liu, Yiran Wu, Yang Liu, Dongxiang Xue, Fang Zhou, Xianjun Zhang, Raymond C Stevens and 3 more

Open access · hybridAbstract read
PubMed Full text at PMC Publisher
In one paragraph

Article in MedChemComm, 2017. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 1 paper.

0numbers the graph read from it
0cells of the map it votes in
1citing papers in PubMed
0.7field-weighted citation impact, top 32% 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

1 citing paper in PubMed, 9 citations in OpenAlex.

  1. 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

13 authors at 2 institutions in 2 countries.

Lintao YeiHuman Institute , ShanghaiTech University , 2F Building 6, 99 Haike Road, Pudong New District , Shanghai 201210 , China . Email: zhaosw@shanghaitech.edu.cn ; Email: taohch@shanghaitech.edu.cn.ORCID 0000-0003-0337-1651
Kang DingKey Laboratory of Computational Biology , CAS-MPG Partner Institute for Computational Biology , Shanghai Institutes for Biological Sciences , Chinese Academy of Sciences , Shanghai , 200031 , China.ORCID 0000-0001-8570-8793
Fei ZhaoiHuman Institute , ShanghaiTech University , 2F Building 6, 99 Haike Road, Pudong New District , Shanghai 201210 , China . Email: zhaosw@shanghaitech.edu.cn ; Email: taohch@shanghaitech.edu.cn.
Xiaoyan LiuiHuman Institute , ShanghaiTech University , 2F Building 6, 99 Haike Road, Pudong New District , Shanghai 201210 , China . Email: zhaosw@shanghaitech.edu.cn ; Email: taohch@shanghaitech.edu.cn.
Yiran WuiHuman Institute , ShanghaiTech University , 2F Building 6, 99 Haike Road, Pudong New District , Shanghai 201210 , China . Email: zhaosw@shanghaitech.edu.cn ; Email: taohch@shanghaitech.edu.cn.
Yang LiuiHuman Institute , ShanghaiTech University , 2F Building 6, 99 Haike Road, Pudong New District , Shanghai 201210 , China . Email: zhaosw@shanghaitech.edu.cn ; Email: taohch@shanghaitech.edu.cn.
Dongxiang XueiHuman Institute , ShanghaiTech University , 2F Building 6, 99 Haike Road, Pudong New District , Shanghai 201210 , China . Email: zhaosw@shanghaitech.edu.cn ; Email: taohch@shanghaitech.edu.cn.
Fang ZhouiHuman Institute , ShanghaiTech University , 2F Building 6, 99 Haike Road, Pudong New District , Shanghai 201210 , China . Email: zhaosw@shanghaitech.edu.cn ; Email: taohch@shanghaitech.edu.cn.
Xianjun ZhangiHuman Institute , ShanghaiTech University , 2F Building 6, 99 Haike Road, Pudong New District , Shanghai 201210 , China . Email: zhaosw@shanghaitech.edu.cn ; Email: taohch@shanghaitech.edu.cn.
Raymond C StevensiHuman Institute , ShanghaiTech University , 2F Building 6, 99 Haike Road, Pudong New District , Shanghai 201210 , China . Email: zhaosw@shanghaitech.edu.cn ; Email: taohch@shanghaitech.edu.cn.
Fei XuiHuman Institute , ShanghaiTech University , 2F Building 6, 99 Haike Road, Pudong New District , Shanghai 201210 , China . Email: zhaosw@shanghaitech.edu.cn ; Email: taohch@shanghaitech.edu.cn.
Suwen ZhaoiHuman Institute , ShanghaiTech University , 2F Building 6, 99 Haike Road, Pudong New District , Shanghai 201210 , China . Email: zhaosw@shanghaitech.edu.cn ; Email: taohch@shanghaitech.edu.cn.
Houchao TaoiHuman Institute , ShanghaiTech University , 2F Building 6, 99 Haike Road, Pudong New District , Shanghai 201210 , China . Email: zhaosw@shanghaitech.edu.cn ; Email: taohch@shanghaitech.edu.cn.ORCID 0000-0001-7598-0275
ShanghaiTech University · CNChinese Academy of Sciences · CN

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

We present herein a novel dissection-then-evolution strategy for ligand optimization. Using the co-crystal structure of the smoothened receptor (SMO) as a guide, we studied the modular contribution of LY2940680 by systematically "silencing" the specific interaction between the individual residue(s) and the fragment in the ligand. Following evolution by focusing on the benzoyl part finally yielded an improved ligand

Identifiers

PMID30108845
PMCPMC6072208
OpenAlexW2608252913

What OpenQuestion holds

Textmetadata
LicenceCC BY-NC
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.