首页|Zhejiang University Reports Findings in Artificial Intelligence (Computational Chemistry in Structure-Based Solute Carrier Transporter Drug Design: Recent Advances and Future Perspectives)
Zhejiang University Reports Findings in Artificial Intelligence (Computational Chemistry in Structure-Based Solute Carrier Transporter Drug Design: Recent Advances and Future Perspectives)
扫码查看
点击上方二维码区域，可以放大扫码查看
原文链接
NETL
NSTL
New research on Artificial Intelligence is the subject of a report. According to news reporting originating from Hangzhou, People's Republic of China, by NewsRx correspondents, research stated, “Solute carrier transporters (SLCs) are a class of important transmembrane proteins that are involved in the transportation of diverse solute ions and small molecules into cells. There are approximately 450 SLCs within the human body, and more than a quarter of them are emerging as attractive therapeutic targets for multiple complex diseases, e.g., depression, cancer, and diabetes.” Our news editors obtained a quote from the research from Zhejiang University, “However, only 44 unique transporters ( 9.8% of the SLC superfamily) with 3D structures and specific binding sites have been reported. To design innovative and effective drugs targeting diverse SLCs, there are a number of obstacles that need to be overcome. However, computational chemistry, including physics-based molecular modeling and machine learning- and deep learning-based artificial intelligence (AI), provides an alternative and complementary way to the classical drug discovery approach. Here, we present a comprehensive overview on recent advances and existing challenges of the computational techniques in structure-based drug design of SLCs from three main aspects: (i) characterizing multiple conformations of the proteins during the functional process of transportation, (ⅱ) identifying druggability sites especially the cryptic allosteric ones on the transporters for substrates and drugs binding, and (ⅲ) discovering diverse small molecules or synthetic protein binders targeting the binding sites.”
HangzhouPeople's Republic of ChinaAsiaArtificial IntelligenceComputational ChemistryDrug DevelopmentDrugs and TherapiesEmerging TechnologiesHealth and MedicineMachine Learning
NETL
NSTL
