Evidence map›Paper›PMID 34386329›Full record

ArticleActa pharmaceutica Sinica. B2021

AncPhore: A versatile tool for anchor pharmacophore steered drug discovery with applications in discovery of new inhibitors targeting metallo-

Qingqing Dai, Yuhang Yan, Xiangli Ning, Gen Li, Junlin Yu, Ji Deng, Lingling Yang, Guo-Bo Li

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In one paragraph

Article in Acta pharmaceutica Sinica. B, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 9 papers.

0numbers the graph read from it
0cells of the map it votes in
9citing 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

9 citing papers in PubMed.

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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

8 authors.

Qingqing DaiKey Laboratory of Drug-Targeting and Drug Delivery System of the Education Ministry and Sichuan Province, Department of Medicinal Chemistry, West China School of Pharmacy, Sichuan University, Chengdu 610041, China.
Yuhang YanKey Laboratory of Drug-Targeting and Drug Delivery System of the Education Ministry and Sichuan Province, Department of Medicinal Chemistry, West China School of Pharmacy, Sichuan University, Chengdu 610041, China.
Xiangli NingKey Laboratory of Drug-Targeting and Drug Delivery System of the Education Ministry and Sichuan Province, Department of Medicinal Chemistry, West China School of Pharmacy, Sichuan University, Chengdu 610041, China.
Gen LiKey Laboratory of Drug-Targeting and Drug Delivery System of the Education Ministry and Sichuan Province, Department of Medicinal Chemistry, West China School of Pharmacy, Sichuan University, Chengdu 610041, China.
Junlin YuKey Laboratory of Drug-Targeting and Drug Delivery System of the Education Ministry and Sichuan Province, Department of Medicinal Chemistry, West China School of Pharmacy, Sichuan University, Chengdu 610041, China.
Ji DengKey Laboratory of Drug-Targeting and Drug Delivery System of the Education Ministry and Sichuan Province, Department of Medicinal Chemistry, West China School of Pharmacy, Sichuan University, Chengdu 610041, China.
Lingling YangCollege of Food and Bioengineering, Xihua University, Chengdu 610039, China.
Guo-Bo LiKey Laboratory of Drug-Targeting and Drug Delivery System of the Education Ministry and Sichuan Province, Department of Medicinal Chemistry, West China School of Pharmacy, Sichuan University, Chengdu 610041, China.

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

We herein describe AncPhore, a versatile tool for drug discovery, which is characterized by pharmacophore feature analysis and anchor pharmacophore (

Indexed as

AMPC, asian mouse phenotyping consortiumAnchor pharmacophoreAP, anchor pharmacophoreAR, aromatic ringAUC, area under the curveBACE1, beta-secretase 1BRD4, bromodomain-containing protein 4CA2, carbonic anhydrase 2CA, carbonic anhydraseCatK, cathepsin KCDK2, cyclin-dependent kinase 2CTS, cathepsinsCV, covalent bondingEF, enrichment factorEX, exclusion volumeGA, genetic algorithmHA, hydrogen-bond acceptorHD, hydrogen-bond donorHIV1-P, human immunodeficiency virus type 1 proteaseHIV-P, human immunodeficiency virus proteaseHY, hydrophobicIDO1, indoleamine 2,3-dioxygenase 1IMP, imipenemaseIndoleamine 2,3-dioxygenaseLE, ligand efficiencyMAPK14, mitogen-activated protein kinase 14MBL, metallo-β-lactamaseMB, metal coordinationMetalloenzymeMetallo-β-lactamaseMIC, minimum inhibitory concentrationMMP13, matrix metallopeptidase 13MMP, matrix metalloproteinaseNDM, new delhi MBLNE, negatively charged centerNP, without anchor pharmacophore featuresPO, positively charged centerRMSD, root mean square deviationROC curve, receiver operating characteristic curveROCK1, rho-associated protein kinase 1RTK, receptor tyrosine kinaseRT, reverse transcriptaseSBL, serine beta lactamaseSSEL, secondary structure element lengthSTK, serine threonine kinaseTDO, tryptophan 2,3-dioxygenaseTDSS, torsion-driving systematic searchTNKS2, tankyrase 2Tryptophan 2,3-dioxygenaseVEGFR2, vascular endothelial growth factor receptor 2VIM, verona integron-encoded MBLVirtual screening

Identifiers

PMID34386329
PMCPMC8343198

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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.