Evidence map›Paper›PMID 35886992›Full record

ArticleInternational journal of molecular sciences2022

Computer-Aided Design and Synthesis of (Functionalized quinazoline)-(α-substituted coumarin)-arylsulfonate Conjugates against Chikungunya Virus.

Jih Ru Hwu, Animesh Roy, Shwu-Chen Tsay, Wen-Chieh Huang, Chun-Cheng Lin, Kuo Chu Hwang, Yu-Chen Hu, Fa-Kuen Shieh, Pieter Leyssen, Johan Neyts

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

Article in International journal of molecular sciences, 2022. 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
–field-weighted citation impact, top 88% 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, 1 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

10 authors at 3 institutions in 2 countries.

Jih Ru HwuDepartment of Chemistry, National Tsing Hua University, Hsinchu 300044, Taiwan.ORCID 0000-0002-9225-8484
Animesh RoyDepartment of Chemistry, National Tsing Hua University, Hsinchu 300044, Taiwan.
Shwu-Chen TsayDepartment of Chemistry, National Tsing Hua University, Hsinchu 300044, Taiwan.ORCID 0000-0003-0585-3419
Wen-Chieh HuangDepartment of Chemistry, National Tsing Hua University, Hsinchu 300044, Taiwan.
Chun-Cheng LinDepartment of Chemistry, National Tsing Hua University, Hsinchu 300044, Taiwan.
Kuo Chu HwangDepartment of Chemistry, National Tsing Hua University, Hsinchu 300044, Taiwan.
Yu-Chen HuFrontier Research Center on Fundamental and Applied Sciences of Matters, National Tsing Hua University, Hsinchu 300044, Taiwan.
Fa-Kuen ShiehDepartment of Chemistry, National Central University, Jhongli City 320317, Taiwan.
Pieter LeyssenRega Institute for Medical Research, Katholieke Universiteit Leuven, Minderbroedersstraat 10, B-3000 Leuven, Belgium.
Johan NeytsRega Institute for Medical Research, Katholieke Universiteit Leuven, Minderbroedersstraat 10, B-3000 Leuven, Belgium.ORCID 0000-0002-0033-7514
National Tsing Hua University · TWRega Institute for Medical Research · BENational Central University · TW

Funding

Ministry of Education, Taiwan, R.O.C. 111QR001I5 and 110QR001I5Ministry of Science and Technology, Taiwan, R.O.C. 111-2634-F-007-023 and 110-2113-M-007-011
6 · The paper itself

Abstract

Chikungunya virus (CHIKV) has repeatedly spread via the bite of an infected mosquito and affected more than 100 countries. The disease poses threats to public health and the economy in the infected locations. Many efforts have been devoted to identifying compounds that could inhibit CHIKV. Unfortunately, successful clinical candidates have not been found yet. Computations through the simulating recognition process were performed on complexation of the nsP3 protein of CHIKV with the structures of triply conjugated drug lead candidates. The outcomes provided the aid on rational design of functionalized quinazoline-(α-substituted coumarin)-arylsulfonate compounds to inhibit CHIKV in Vero cells. The molecular docking studies showed a void space around the β carbon atom of coumarin when a substituent was attached at the α position. The formed vacancy offered a good chance for a Michael addition to take place owing to steric and electronic effects. The best conjugate containing a quinazolinone moiety exhibited potency with EC

Indexed as

Chikungunya virusAnimalsAntiviral AgentsArylsulfonatesChlorocebus aethiopsComputer-Aided DesignCoumarinsMolecular Docking SimulationQuinazolinesQuinazolinonesVero CellsVirus ReplicationAntiviral AgentsArylsulfonatesCoumarinsQuinazolinesQuinazolinones4-anilinoquinazolinechikungunya viruscoumarinmolecular dockingquinazolinonesulfonate

Identifiers

PMID35886992
PMCPMC9322071
OpenAlexW4285044016

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.