Finding new inhibitors for EML4-ALK fusion protein: a computational approach was written by Kesavan, Sabitha;Ramshankar, Vijayalakshmi. And the article was included in International Research Journal of Pharmacy in 2012.Application In Synthesis of (2R,3R,4S,5R,6R)-2-(Acetoxymethyl)-6-(((2S,3S,4R,5R)-3,4-diacetoxy-2,5-bis(acetoxymethyl)tetrahydrofuran-2-yl)oxy)tetrahydro-2H-pyran-3,4,5-triyl triacetate This article mentions the following:
The fusion between echinoderm microtubule-associated protein-like 4 (EML4) and anaplastic lymphoma kinase (ALK) has recently been identified in a subset of non-small cell lung cancers (NSCLC). PF-02341066 (crizotinib) is an orally bioavailable ALK inhibitor currently under clin. development. PF-02341066 in EML4-ALK NSCLC was designed for patients not eligible for the phase III trial or patients randomized to chemotherapy who subsequently developed progressive disease. PF-02341066 is a dual inhibitor of mesenchymal epithelial transition growth factor (c-met) and anaplastic lymphoma kinase translocation gene and caused tumor shrinkage in 52% of patients in a phase I study. However, some studies also show denovo mutations within the kinase domain of EML4-ALK that confers resistance to multiple ALK inhibitors. Hence development of new inhibitors with better binding affinities towards the EML4-ALK is the need of the hour for subsequent clin. validation. Computational (virtual) screening of drug-like compounds against the protein targets like EML4-ALK, might help to identify specific lead inhibitors more efficiently. The Protein-Ligand interaction plays a significant role in structure based drug designing. In the current study, we have considered EML4-ALK, a fusion protein involved in NSCLCs as a receptor and NCI subset Ligands as drugs. The receptor was docked to the NCI database of drugs and a docking score was calculated using GLIDE docking software. Based on the docking score, we choose the best drugs and analyzed its ADME properties using Qikprop tool. The results of this anal. show some novel compounds that can be further evaluated as EML4-ALK inhibitors in exptl. NSCLC cell lines. The study further supports the application of computer-aided techniques to the discovery of novel and specific drug for EML4-ALK fusion protein. In the experiment, the researchers used many compounds, for example, (2R,3R,4S,5R,6R)-2-(Acetoxymethyl)-6-(((2S,3S,4R,5R)-3,4-diacetoxy-2,5-bis(acetoxymethyl)tetrahydrofuran-2-yl)oxy)tetrahydro-2H-pyran-3,4,5-triyl triacetate (cas: 126-14-7Application In Synthesis of (2R,3R,4S,5R,6R)-2-(Acetoxymethyl)-6-(((2S,3S,4R,5R)-3,4-diacetoxy-2,5-bis(acetoxymethyl)tetrahydrofuran-2-yl)oxy)tetrahydro-2H-pyran-3,4,5-triyl triacetate).
(2R,3R,4S,5R,6R)-2-(Acetoxymethyl)-6-(((2S,3S,4R,5R)-3,4-diacetoxy-2,5-bis(acetoxymethyl)tetrahydrofuran-2-yl)oxy)tetrahydro-2H-pyran-3,4,5-triyl triacetate (cas: 126-14-7) belongs to tetrahydrofuran derivatives. Tetrahydrofuran (THF), or oxolane, is mainly used as a precursor to polymers. Being polar and having a wide liquid range, THF is a versatile solvent. Tetrahydrofuran reaction with hydrogen sulfide: In the presence of a solid acid catalyst, tetrahydrofuran reacts with hydrogen sulfide to give tetrahydrothiophene.Application In Synthesis of (2R,3R,4S,5R,6R)-2-(Acetoxymethyl)-6-(((2S,3S,4R,5R)-3,4-diacetoxy-2,5-bis(acetoxymethyl)tetrahydrofuran-2-yl)oxy)tetrahydro-2H-pyran-3,4,5-triyl triacetate
Referemce:
Tetrahydrofuran – Wikipedia,
Tetrahydrofuran | (CH2)3CH2O – PubChem