Design of Novel Chemotherapeutic Agents Targeting Checkpoint Kinase 1 Using 3D-QSAR Modeling and Molecular Docking Methods

Balupuri Anand; Balasubramanian Pavithra K.; Cho Seung J.

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Design of Novel Chemotherapeutic Agents Targeting Checkpoint Kinase 1 Using 3D-QSAR Modeling and Molecular Docking Methods

机译：使用3D-QSAR建模和分子对接方法设计靶向检查点激酶1的新型化疗药物

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Background: Checkpoint kinase 1 (Chk1) has emerged as a potential therapeutic target for design and development of novel anticancer drugs.

机译：背景：Checkpoint激酶1（Chk1）已成为设计和开发新型抗癌药物的潜在治疗靶标。

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来源
《Current computer-aided drug design 》 |2016年第4期| 共12页
作者
Balupuri Anand; Balasubramanian Pavithra K.; Cho Seung J.;
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正文语种 eng
中图分类药学 ;
关键词
Checkpoint kinase 1; CoMFA; CoMSIA; diazacarbazoles; 3D-QSAR; molecular docking;

机译：检查点激酶1;CoMFA;CoMSIA;重氮咔唑;3D-QSAR;分子对接;

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1. Design of Novel Chemotherapeutic Agents Targeting Checkpoint Kinase 1 Using 3D-QSAR Modeling and Molecular Docking Methods [J] . Balupuri Anand, Balasubramanian Pavithra K., Cho Seung J. Current computer-aided drug design . 2016 ,第4期

机译：使用3D-QSAR建模和分子对接方法设计靶向检查点激酶1的新型化疗药物
2. Design of New Therapeutic Agents Targeting FLT3 Receptor Tyrosine Kinase Using Molecular Docking and 3D-QSAR Approach [J] . Bhujbal Swapnil Pandurang, Keretsu Seketoulie, Cho Scung Joo Letters in drug design & discovery . 2020 ,第5期

机译：用分子对接靶向FLT3受体酪氨酸激酶的新治疗剂的设计与3D QSAR方法
3. Identification of new checkpoint kinase-i (Chki) inhibitors by docking, 3D-QSAR, and pharmacophore-modeling methods [J] . Premlata K. Ambre, Raghuvir R. S. Pissurlenkar, Evans C. Coutinho Canadian Journal of Chemistry . 2012 ,第8期

机译：通过对接，3D-QSAR和药效团建模方法鉴定新的检查点激酶i（Chki）抑制剂
4. 3D-QSAR Modeling, Molecular Docking and Quantum Mechanical Approaches to Identify Pleckstrin Homology Domain of New AKT1 Inhibitors [C] . Rengarajan Kavitha, Chandrasekaran Meganathan National Conference on Hierarchically Structured Materials . 2019

机译：3D-QSAR建模，分子对接和量子力学方法，用于鉴定新AKT1抑制剂的Pleckstrin同源域
5. Combination of the Computational Methods: Molecular dynamics, Homology Modeling and Docking to Design Novel Inhibitors and Study Structural Changes in Target Proteins for Current Diseases. [D] . Parra, Katherine. 2014

机译：计算方法的组合：分子动力学，同源性建模和对接，以设计新型抑制剂并研究当前疾病靶蛋白的结构变化。
6. Molecular Modeling of Antimalarial Agents by 3D-QSAR Study and Molecular Docking of Two Hybrids 4-Aminoquinoline-135-triazine and 4-Aminoquinoline-oxalamide Derivatives with the Receptor Protein in Its Both Wild and Mutant Types [O] . Hanine Hadni, Mohamed Mazigh, Elmbarki Charif, 2018

机译：通过3D-QSAR研究抗疟剂的分子模型以及野生型和突变型受体蛋白两个杂种4-氨基喹啉-135-三嗪和4-氨基喹啉-草酰胺衍生物的分子对接
7. 3D-QSAR studies of checkpoint kinase 1 inhibitors based on molecular docking and CoMFA [O] . Rong Wei Wang, Lu Zhou, Zhili Zuo, 2010

机译：基于分子对接和COMFA的检查点激酶1抑制剂的3D-QSAR研究

Design of Novel Chemotherapeutic Agents Targeting Checkpoint Kinase 1 Using 3D-QSAR Modeling and Molecular Docking Methods

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