Evidence map›Paper›PMID 37143279›Full record

ArticleCombinatorial chemistry & high throughput screening2024

Design, Synthesis and Molecular Docking Studies of Pyrazoline Derivatives as PI3K Inhibitors.

Rohit Kumar, Arvind Kumar, Adarsh Kumar, Ankit Kumar Singh, Pradeep Kumar

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Article in Combinatorial chemistry & high throughput screening, 2024. 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
0.4field-weighted citation impact, top 43% of its field
1 · What the graph read from it

What it found

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3 · Its place in the literature

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2 citing papers in PubMed, 3 citations in OpenAlex.

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4 · The record

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5 · Who and what money

Authors and funding

5 authors at 2 institutions in 1 country.

Rohit KumarDepartment of Pharmaceutical Sciences and Natural Products, Central University of Punjab, Ghudda, Bathinda, 151401, India.
Arvind KumarDepartment of Pharmaceutical Sciences and Natural Products, Central University of Punjab, Ghudda, Bathinda, 151401, India.
Adarsh KumarDepartment of Pharmaceutical Sciences and Natural Products, Central University of Punjab, Ghudda, Bathinda, 151401, India.
Ankit Kumar SinghDepartment of Pharmaceutical Sciences and Natural Products, Central University of Punjab, Ghudda, Bathinda, 151401, India.
Pradeep KumarDepartment of Pharmaceutical Sciences and Natural Products, Central University of Punjab, Ghudda, Bathinda, 151401, India.
Central University of Punjab · INMaharaja Agrasen University

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

aimDesign, synthesis and molecular docking studies of quinoline/naphthalene containing pyrazoline derivatives as PI3K inhibitors.

backgroundPhosphatidylinositol 3-kinases (PI3Ks) belong to the family of enzymes, which are associated with various cellular functions such as cell growth, proliferation, differentiation etc. Overexpression or any changes in these functions may result in various abnormalities, which in turn cause cancer.

objectivesTo perform synthesis and molecular docking studies of quinoline/naphthalene containing pyrazoline derivatives as PI3K inhibitors.

methods2-Chloroquinoline-3-carbaldehyde was synthesized by a reaction of acetanilide and POCl3. The latter was reacted with substituted acetophenones to synthesize chalcones, which were reacted with substituted phenyl hydrazines to yield pyrazoline derivatives (Series I). Similarly, pchloro benzaldehyde was reacted with 2-acetonapthone to yield chalcone with substituted phenyl hydrazines to yield pyrazoline derivatives (Series II).

resultsThe synthetic compounds were subjected to molecular modelling experiments using Schrodinger 2016 software and evaluated

conclusionCompounds 5 and 3 had the best docking scores (-7.85 and -7.17 Kcal/mol, respectively). The synthesized compounds have better docking scores than the reference drug AMG-319. As a result, they might be used as lead molecules in investigating PI3K inhibitors.

Indexed as

Drug DesignMolecular Docking SimulationPhosphatidylinositol 3-KinasesPhosphoinositide-3 Kinase InhibitorsPyrazolesHumansMolecular StructureNaphthalenesProtein Kinase InhibitorsQuinolinesStructure-Activity RelationshipnaphthaleneNaphthalenesPhosphatidylinositol 3-KinasesPhosphoinositide-3 Kinase InhibitorsProtein Kinase InhibitorsPyrazolesQuinolinesCancerin silicomolecular docking.naphthalenePI3Kpyrazolinequinazoline

Identifiers

PMID37143279
OpenAlexW4372323119

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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.