Computational Design, Synthesis, and Bioevaluation of 2-(Pyrimidin-4-yl) oxazole-4-carboxamide Derivatives: Dual Inhibition of EGFR^WT and EGFR^T790M with ADMET Profiling.

IF 4.5 2区医学 Q1 BIOCHEMISTRY & MOLECULAR BIOLOGY Bioorganic Chemistry Pub Date : 2024-10-30 DOI:10.1016/j.bioorg.2024.107910

Nilesh Raghunath Khedkar, Milind Sindkhedkar, Alex Joseph

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2-(嘧啶-4-基)恶唑-4-甲酰胺衍生物的计算设计、合成和生物评估：通过 ADMET 分析实现对 EGFRWT 和 EGFRT790M 的双重抑制。

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来源期刊

Bioorganic Chemistry 生物-生化与分子生物学

CiteScore

9.70

自引率

3.90%

发文量

679

审稿时长

31 days

期刊介绍： Bioorganic Chemistry publishes research that addresses biological questions at the molecular level, using organic chemistry and principles of physical organic chemistry. The scope of the journal covers a range of topics at the organic chemistry-biology interface, including: enzyme catalysis, biotransformation and enzyme inhibition; nucleic acids chemistry; medicinal chemistry; natural product chemistry, natural product synthesis and natural product biosynthesis; antimicrobial agents; lipid and peptide chemistry; biophysical chemistry; biological probes; bio-orthogonal chemistry and biomimetic chemistry. For manuscripts dealing with synthetic bioactive compounds, the Journal requires that the molecular target of the compounds described must be known, and must be demonstrated experimentally in the manuscript. For studies involving natural products, if the molecular target is unknown, some data beyond simple cell-based toxicity studies to provide insight into the mechanism of action is required. Studies supported by molecular docking are welcome, but must be supported by experimental data. The Journal does not consider manuscripts that are purely theoretical or computational in nature. The Journal publishes regular articles, short communications and reviews. Reviews are normally invited by Editors or Editorial Board members. Authors of unsolicited reviews should first contact an Editor or Editorial Board member to determine whether the proposed article is within the scope of the Journal.

Computational Design, Synthesis, and Bioevaluation of 2-(Pyrimidin-4-yl) oxazole-4-carboxamide Derivatives: Dual Inhibition of EGFRWT and EGFRT790M with ADMET Profiling.

Computational Design, Synthesis, and Bioevaluation of 2-(Pyrimidin-4-yl) oxazole-4-carboxamide Derivatives: Dual Inhibition of EGFR^WT and EGFR^T790M with ADMET Profiling.