Article

Tackling the Moving Mutant Target: Taxifolin Derivatives as Novel Putative E571K Exportin-1 Inhibitors for KRAS-mutant Lung Adenocarcinoma Therapy

2020-12-31

Abstract excerpt

<h4>Aim: </h4> To establish, through molecular modelling, safe and clinically acceptable putative antagonists of E571K-mutated exportin-1 among the bioactive compounds in various parts of Juglans mandshurica. <h4>Methods:</h4> The bioactive compounds were subjected to compendium of druglikeness and lead-likeness filter workflows prior to docking of the resultant compounds into E571K exportin-1 active site using Py...

Topics

Open a Topic to create a Post that cites this publication.

Identifiers and source

Literature Corpus work: b108ccc9-9fde-5683-8a00-5fb209faf173
DOI: 10.20944/preprints202012.0797.v1

Open publication

Related research

Semantic proximity does not establish scientific evidence.

Click a neighbor to travelStep 1 · 12 closest

Tackling the Moving Mutant Target: Taxifolin Derivatives as Novel Putative E571K Exportin-1 Inhibitors for KRAS-mutant Lung Adenocarcinoma TherapyDOI 10.20944/preprints202012.0797.v1Read

Optimizing the resveratrol fragments for novel in silico hepatocellular carcinoma de novo drug designSemantic proximity Read

Bioinformatics-driven discovery of novel EGFR kinase inhibitors as anti-cancer therapeutics: In silico screening and in vitro evaluation.Semantic proximity Read

Drug repurposing for COVID-19 using computational screening: Is Fostamatinib/R406 a potential candidate?Semantic proximity Read

Genomic and computational-aided integrative drug repositioning strategy for EGFR and ROS1 mutated NSCLC.Semantic proximity Read

Computational approaches for evaluation of isobavachin as potential inhibitor against t877a and w741l mutations in prostate cancer.Semantic proximity Read

Structure-Based Optimization of the Third Generation Type II Macrocycle TRK Inhibitors with Improved Activity against Solvent-Front, xDFG, and Gatekeeper Mutations.Semantic proximity Read

Discovery and characterization of a novel irreversible EGFR mutants selective and potent kinase inhibitor CHMFL-EGFR-26 with a distinct binding mode.Semantic proximity Read

Simulation Studies 3D QSAR and Molecular Docking, on a Point Mutation of Protein Kinase B with Flavonoids Targeting Ovarian CancerSemantic proximity Read

Identification of EGFR inhibitors as potential agents for cancer therapy: pharmacophore-based modeling, molecular docking, and molecular dynamics investigations.Semantic proximity Read

Toward structure-based drug design against the epidermal growth factor receptor (EGFR).Semantic proximity Read

Towards identification of novel inhibitors of EGFR mutants through in-silico approach.Semantic proximity Read

Computational evaluation of Fenugreek-derived compounds as FGFR2 inhibitors for cancer therapySemantic proximity Read