FDA Approved Drugs Repurposing of Toll-Like Receptor4 (TLR4) Candidate for Neuropathy.

虚拟筛选 生物信息学 药物重新定位 药物发现 计算生物学 神经病理性疼痛 体内 医学 重新调整用途 批准的药物 药理学 药品 生物信息学 生物 生物技术 基因 生物化学 生态学
作者
Hakimeh Zali,Ali Golchin,Masoumeh Farahani,Mohsen Yazdani,Mohammad Mehdi Ranjbar,Ali Dabbagh
出处
期刊:PubMed 卷期号:18 (3): 1639-1647 被引量:12
标识
DOI:10.22037/ijpr.2019.2394
摘要

Accumulating evidence indicates that toll-like receptor 4 (TLR4) plays a critical role in promoting adaptive immune responses and are definitively involved in the expansion and maintenance of the neuropathic pain. Though the application of docking in virtual-screening in silico methods to drug discovery has some challenge, it allows directed and meaningful design of drugs for a target protein; which can lead to low costing approaches with shortcuts; resulting in evolution and discovery of promising new drugs. Nevertheless, in parallel with virtual screening methods, attendant developments in cell culture and in-vivo studies must be achieved. In the present paper, we aimed to discover new drugs that have the ability to bind and inhibit TLR4 functions. So, after using the Pathway studio to investigate the biological pathways and protein interaction maps between TLR4 and neuropathy, we reported the application of the affinity-based approach of different pharmaceuticals; these agents contained all of the approved drugs; which could bind to Toll-like receptor 4 in blind high-throughput in silico screening. Our results demonstrated that among the primary list of 1945 retrieved compounds, 39 approved compounds could be the right candidate to perform a biological test in different in-vivo and in-vitro conditions and as a lead for further neurophysiological and neuropathological studies and treatment of neuropathic pain.

科研通智能强力驱动
Strongly Powered by AbleSci AI
更新
大幅提高文件上传限制,最高150M (2024-4-1)

科研通是完全免费的文献互助平台,具备全网最快的应助速度,最高的求助完成率。 对每一个文献求助,科研通都将尽心尽力,给求助人一个满意的交代。
实时播报
刚刚
growl完成签到,获得积分10
刚刚
芷莯发布了新的文献求助10
1秒前
细心香烟完成签到 ,获得积分10
1秒前
wen完成签到 ,获得积分10
2秒前
789完成签到,获得积分20
2秒前
尹伊萍发布了新的文献求助10
2秒前
2秒前
3秒前
李健应助不周山修猫采纳,获得10
4秒前
NexusExplorer应助moian2采纳,获得10
5秒前
在水一方应助小付老丝儿采纳,获得30
5秒前
芷莯完成签到,获得积分10
5秒前
6秒前
6秒前
pazlye发布了新的文献求助10
6秒前
烁丶完成签到 ,获得积分10
6秒前
搞毛啊完成签到,获得积分10
6秒前
zhengke924发布了新的文献求助10
7秒前
7秒前
zeng完成签到,获得积分10
8秒前
上官若男应助清茗采纳,获得10
8秒前
maolizi完成签到,获得积分10
8秒前
8秒前
789发布了新的文献求助10
8秒前
No发布了新的文献求助10
9秒前
研友_VZG7GZ应助科研通管家采纳,获得10
10秒前
彭于晏应助科研通管家采纳,获得10
10秒前
大模型应助科研通管家采纳,获得10
10秒前
酷波er应助科研通管家采纳,获得10
10秒前
乐山乐水应助科研通管家采纳,获得10
10秒前
124应助科研通管家采纳,获得10
10秒前
JamesPei应助科研通管家采纳,获得10
10秒前
香蕉觅云应助科研通管家采纳,获得10
10秒前
打打应助科研通管家采纳,获得10
10秒前
赘婿应助科研通管家采纳,获得10
10秒前
Lucas应助科研通管家采纳,获得10
10秒前
我是老大应助科研通管家采纳,获得30
11秒前
11秒前
JamesPei应助科研通管家采纳,获得10
11秒前
高分求助中
Licensing Deals in Pharmaceuticals 2019-2024 3000
Cognitive Paradigms in Knowledge Organisation 2000
Effect of reactor temperature on FCC yield 2000
Near Infrared Spectra of Origin-defined and Real-world Textiles (NIR-SORT): A spectroscopic and materials characterization dataset for known provenance and post-consumer fabrics 610
Introduction to Spectroscopic Ellipsometry of Thin Film Materials Instrumentation, Data Analysis, and Applications 600
Promoting women's entrepreneurship in developing countries: the case of the world's largest women-owned community-based enterprise 500
Shining Light on the Dark Side of Personality 400
热门求助领域 (近24小时)
化学 医学 生物 材料科学 工程类 有机化学 生物化学 物理 内科学 纳米技术 计算机科学 化学工程 复合材料 基因 遗传学 催化作用 物理化学 免疫学 量子力学 细胞生物学
热门帖子
关注 科研通微信公众号,转发送积分 3309005
求助须知:如何正确求助?哪些是违规求助? 2942374
关于积分的说明 8508619
捐赠科研通 2617432
什么是DOI,文献DOI怎么找? 1430073
科研通“疑难数据库(出版商)”最低求助积分说明 664018
邀请新用户注册赠送积分活动 649234