English (United Kingdom)

https://curated-unify.zendy.io/wp-json/zendy-region/v1/featured_content/oa?rat=en

https://curated-unify.zendy.io/wp-json/zendy-region/v1/highlighted_journal/

Global: Zendy Plus annual

Presents the access of premium content as premium feature

Premium Content

Presents the keyphrase highlighting as premium feature

Keyphrase Highlighting

Presents the summarisation as premium feature

Summarisation

Insights

Presents the pdf analysis as premium feature

PDF Analysis

Presents the zaia usage as premium feature

ZAIA

Global: Zendy Tools annual

Global: Zendy Free Plan

Global: Zendy Tools monthly

Global: Zendy Plus monthly

The epidermal growth factor receptor (EGFR) and human epidermal receptor (HER-2) protein tyrosine kinase are important protein targets for anti-tumor drug discovery to identify potential EGFR and HER2 inhibitors, we conducted 2D and 3D Quantitative structure-activity relationship (QSAR) studies on the inhibitory activity of recently synthesized pyrazolyl-thiazolinone derivatives (E1-E36) and from best model predicted activity of novel pyrazolyl-thiazolinone derivatives. 2D and 3D QSAR study was performed by using multiple linear regression method and KNN MFA method respectively by using random selection and manual data selection of 36 compound (E1-E36). The statistically best 2D QSAR model (r 2 = 0.9125, q 2 = 0.8426, F = 39.63, Pred_r 2 = 0.6736, Pred_r 2 se = 0.2944) was developed using software Vlife MDS version 4.2. from this model novel 20 compounds (MCR 001020) were designed and activity was predicted. Furthermore, on this novel compound (out of 20/10 compounds) docking studies were conducted to identify receptor ligand interaction (dock score of MCR 005 = -54.25) using Erlotinib as a positive control (dock score = -62.82).

journal of current pharma research

Design of novel pyrazolyl-thiazolinone derivatives as a potential EGFR and HER-2 kinase inhibitors by 2D and 3D QSAR using kNN MFA and molecular docking method.