Evidence map›Paper›PMID 29085766›Full record

ArticleIn silico pharmacology2017

Exploration of 3,6-dihydroimidazo(4,5-d)pyrrolo(2,3-b)pyridin-2(1H)-one derivatives as JAK inhibitors using various in silico techniques.

Radhakrishnan S Jisha, Lilly Aswathy, Vijay H Masand, Jayant M Gajbhiye, Indira G Shibi

Abstract read
In one paragraph

Article in In silico pharmacology, 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
–field-weighted citation impact
1 · What the graph read from it

What it found

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2 · The registry

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3 · Its place in the literature

Who cites it

1 citing paper in PubMed.

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4 · The record

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5 · Who and what money

Authors and funding

5 authors.

Radhakrishnan S JishaDepartment of Chemistry, Sree Narayana College, Chempazhanthy, Thiruvananthapuram, Kerala 695 587 India.
Lilly AswathyDepartment of Chemistry, Sree Narayana College, Chempazhanthy, Thiruvananthapuram, Kerala 695 587 India.
Vijay H MasandDepartment of Chemistry, Vidya Bharati College, Camp, Amravati, Maharashtra 444 602 India.
Jayant M GajbhiyeDivision of Organic Chemistry, CSIR-National Chemical Laboratory, Pune, 411 008 India.
Indira G ShibiDepartment of Chemistry, Sree Narayana College, Chempazhanthy, Thiruvananthapuram, Kerala 695 587 India.

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

This study focuses on understanding the structural features of 3,6-dihydroimidazo(4,5-d)pyrrolo(2,3-b)pyridin-2(1H)-one (dpp) derivatives to computationally identify new JAK inhibiting compounds. For the purpose, a novel virtual screening strategy, with 2D and 3D-QSAR (CoMFA and CoMSIA), data mining, pharmacophore modeling, ADMET prediction, multi-targeted protein-based docking and inverse QSAR, was employed. The 2D-QSAR equations developed for the JAK3, JAK2 and JAK1 involved five physicochemical descriptors. These descriptors correlate with the anti-RA activity with R

Indexed as

2D and 3D QSARJanus kinaseMolecular dockingRheumatoid arthritisWeka

Identifiers

PMID29085766
PMCPMC5639824

What OpenQuestion holds

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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.