DREAM-in-CDM Approach and Identification of a New Generation of Anti-inflammatory Drugs Targeting mPGES-1
| Autor: | Yaxia Yuan, Charles D. Loftin, Kai Ding, Shuo Zhou, Fang Zheng, Chang-Guo Zhan, Ziyuan Zhou |
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| Rok vydání: | 2020 |
| Předmět: |
0301 basic medicine
Drug Coronavirus disease 2019 (COVID-19) medicine.drug_class media_common.quotation_subject Science Analgesic Pneumonia Viral Anti-Inflammatory Agents Molecular Dynamics Simulation Bioinformatics Lapatinib Virtual drug screening Anti-inflammatory Article 03 medical and health sciences Betacoronavirus 0302 clinical medicine Computational Chemistry In vivo Medicine Humans Cyclooxygenase Inhibitors Pandemics media_common Prostaglandin-E Synthases Inflammation Multidisciplinary business.industry Drug discovery SARS-CoV-2 Drug Repositioning COVID-19 Drug repositioning 030104 developmental biology Cyclooxygenase 2 030220 oncology & carcinogenesis Cyclooxygenase 1 Screening business Coronavirus Infections medicine.drug |
| Zdroj: | Scientific Reports Scientific Reports, Vol 10, Iss 1, Pp 1-9 (2020) |
| ISSN: | 2045-2322 |
| Popis: | Microsomal prostaglandin E2 synthase-1 (mPGES-1) is known as an ideal target for next generation of anti-inflammatory drugs without the side effects of currently available anti-inflammatory drugs. However, there has been no clinically promising mPGES-1 inhibitor identified through traditional drug discovery and development route. Here we report a new approach, called DREAM-in-CDM (Drug Repurposing Effort Applying Integrated Modeling-in vitro/vivo-Clinical Data Mining), to identify an FDA-approved drug suitable for use as an effective analgesic targeting mPGES-1. The DREAM-in-CDM approach consists of three steps: computational screening of FDA-approved drugs; in vitro and/or in vivo assays; and clinical data mining. By using the DREAM-in-CDM approach, lapatinib has been identified as a promising mPGES-1 inhibitor which may have significant anti-inflammatory effects to relieve various forms of pain and possibly treat various inflammation conditions involved in other inflammation-related diseases such as the lung inflammation caused by the newly identified COVID-19. We anticipate that the DREAM-in-CDM approach will be used to repurpose FDA-approved drugs for various new therapeutic indications associated with new targets. |
| Databáze: | OpenAIRE |
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