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Drug Discovery: Overview

Drug Discovery: Overview

Drug discovery is a multifaceted process involving extensive screening, testing, and optimization of lead compounds to identify potential new drugs for therapeutic use. It combines several approaches, including screening large numbers of natural products, chemical modification of known active molecules, identification of new drug targets, and rational design based on biological mechanisms and drug-receptor structure. These approaches are carried out in both academic research laboratories and...

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Updated: Jul 29, 2025

Biosensor-based High Throughput Biopanning and Bioinformatics Analysis Strategy for the Global Validation of Drug-protein Interactions

Biosensor-based High Throughput Biopanning and Bioinformatics Analysis Strategy for the Global Validation of Drug-protein Interactions

Published on: December 1, 2020

使用ChEMBL来补充螺旋体药物发现.

Gilda Padalino¹, Avril Coghlan², Giampaolo Pagliuca³

¹School of Pharmacy and Pharmaceutical Sciences, Cardiff University, Redwood Building, King Edward VII Avenue, Cardiff CF10 3NB, UK.

|May 27, 2023

概括

在杆杆菌病中,实量体耐药性是一个越来越令人担忧的问题. 这项研究确定了新型化合物,包括具有强烈的抗瘤活性的epoxomicin和CGP60474,加速了对这种被忽视的热带疾病的药物发现.

关键词:

切姆布尔 (Chembl) 是一个成人虫成人的虫.生物信息学是一种生物信息学.细胞毒性细胞毒性药物发现管道的管道这种疾病叫做schistosomiasis.这样,我们就有了schistosomulaula.

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Achieving Efficient Fragment Screening at XChem Facility at Diamond Light Source

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Nano-Differential Scanning Fluorimetry for Screening in Fragment-based Lead Discovery

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Last Updated: Jul 29, 2025

Biosensor-based High Throughput Biopanning and Bioinformatics Analysis Strategy for the Global Validation of Drug-protein Interactions

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Published on: December 1, 2020

Achieving Efficient Fragment Screening at XChem Facility at Diamond Light Source

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Published on: May 29, 2021

Nano-Differential Scanning Fluorimetry for Screening in Fragment-based Lead Discovery

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Published on: May 16, 2021

科学领域:

被忽视的热带疾病研究研究
药物的发现和开发.
寄生虫学的寄生虫学

背景情况:

杆菌仍然是一个主要的全球健康负担,主要通过praziquantel化疗来管理.
现有抗素耐药性分裂体的出现对当前的控制策略构成重大威胁.
加快发现新的抗瘤药物至关重要.

研究的目的:

概述一项战略,通过整合与ChEMBL数据库的schistosome特定资源来加速早期的schistosome药物发现.
为了识别具有抗胞体活性的新型化学化合物.

主要方法:

利用功能性基因组学,生物信息学,化学信息学和表型数据.
使用开放的药物发现数据库ChEMBL.
查化合物以检测ex vivo抗瘤和成年瘤活性,并评估卵子生产抑制.

主要成果:

七种化合物,包括fimepinostat,trichostatin A,NVP-BEP800,luminespib,epoxomicin,CGP60474和staurosporine,显示出亚微分离子抗螺旋菌的功效.
埃波克索米辛,CGP60474和稳氨酸对成年瘤和抑制卵子生产表现出强大,快速起作用的作用.
根据ChEMBL的毒性数据,CGP60474,luminespib和TAE684被认为是有前途的新型抗胆固醇候选药物.

结论:

综合方法有效地加快了新的抗瘤候选药物的鉴定和临床前进展.
这一策略对于补充先进抗胞体化合物的有限管道至关重要.
像CGP60474这样的新型化合物显示出对抗抗素抗性杆菌病的显著潜力.