首页|Chinese Academy of Sciences Reports Findings in Artificial Intelligence (Utilizi ng artificial intelligence for precision exploration of N protein targeting phen anthridine sars-cov-2 inhibitors: A novel approach)
Chinese Academy of Sciences Reports Findings in Artificial Intelligence (Utilizi ng artificial intelligence for precision exploration of N protein targeting phen anthridine sars-cov-2 inhibitors: A novel approach)
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By a News Reporter-Staff News Editor at Robotics & Machine Learning Daily News Daily News-New research on Artificial Intelligenc e is the subject of a report. According to news reporting from Kunming, People's Republic of China, by NewsRx journalists, research stated, "The persistent muta tion of the novel coronavirus presents a continual threat of infections and asso ciated illnesses. While considerable research efforts have concentrated on the f unctional proteins of SARS-CoV-2 in the development of anti-COVID-19 therapeutic s, the structural proteins, particularly the N protein, have received comparativ ely less attention." The news correspondents obtained a quote from the research from the Chinese Acad emy of Sciences, "This study focuses on the N protein, a critical structural com ponent of the virus, and employs advanced deep learning models, including EMPIRE and DeepFrag, to optimize the structures of phenanthridinebased compounds. Mor e than 10,000 small molecules, derived through deep learning, underwent high-thr oughput virtual screening, resulting in the synthesis of 44 compounds. Compound 38 showed a binding potential energy of -8.2 kcal/mol in molecular docking. Surf ace Plasmon Resonance (SPR) and Microscale Thermophoresis (MST) validation yield ed dissociation constants of 353 nM and 726 nM, confirming strong binding to the N protein. Compound 38 demonstrated antiviral activity in vitro and exhibited a nti-COVID- 19 effects by interfering with the binding of N proteins to RNA. This research underscores the potential of targeting the SARS-CoV-2 N protein for the rapeutic intervention and illustrates the efficacy of deep learning model in the design of lead compounds."
KunmingPeople's Republic of ChinaAsiaArtificial IntelligenceCOVID-19CoronavirusDeep LearningEmerging Techn ologiesMachine LearningRNA VirusesRisk and PreventionSARS-CoV-2Severe Acute Respiratory Syndrome Coronavirus 2ViralVirology
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