Natural products（NPs） have long been recognized as a valuable resource for drug discovery, and bringing NP-related features to virtual libraries is believed to be an effective way to increase the coverage of druggab...Natural products（NPs） have long been recognized as a valuable resource for drug discovery, and bringing NP-related features to virtual libraries is believed to be an effective way to increase the coverage of druggable chemical space. Here, deep learning-based molecule generative model, which is a recent technique in de novo molecule design, was applied to generate virtual libraries with NP-like properties. Results demonstrated that the model was effective in generating molecules that highly resemble NPs. Moreover, the model was also found to be capable of generating NP-like molecules that were also easy to synthesize, significantly increasing the practical value of the compound library.展开更多
As an important part of National Digital Library(NDL),the National Digital Library Project(NDLP),which was launched in 2005,has attracted wide attention of the society in general.This paper introduces the general situ...As an important part of National Digital Library(NDL),the National Digital Library Project(NDLP),which was launched in 2005,has attracted wide attention of the society in general.This paper introduces the general situation of the project from the following aspects,namely,the characteristics,objectives and contents.It also expounds on the basic ideas and the overall structure of the project and gives an introduction to the design of its basic platform,its application platform,its business management system and its standardization control system.In this paper,the digital resources construction and service delivery of the National Library of China(NLC)are introduced to cover both its present operation as well as those in conjunction with the opening of its new library building during its second-phase of library development.Finally,the most important and difficult point in the construction of the National Digital Library Project is analyzed from the following four perspectives:1)The long-term preservation of digital resources;2)the construction of knowledge organization system;3)the organic integration of the digital library and the traditional library;and 4)the risk of project management and system integration.展开更多
The successful approval of peptide-based drugs can be attributed to a collaborative effort across multiple disciplines.The integration of novel drug design and synthesis techniques,display library technology,delivery ...The successful approval of peptide-based drugs can be attributed to a collaborative effort across multiple disciplines.The integration of novel drug design and synthesis techniques,display library technology,delivery systems,bioengineering advancements,and artificial intelligence have significantly expedited the development of groundbreaking peptide-based drugs,effectively addressing the obstacles associated with their character,such as the rapid clearance and degradation,necessitating subcutaneous injection leading to increasing patient discomfort,and ultimately advancing translational research efforts.Peptides are presently employed in the management and diagnosis of a diverse array of medical conditions,such as diabetes mellitus,weight loss,oncology,and rare diseases,and are additionally garnering interest in facilitating targeted drug delivery platforms and the advancement of peptide-based vaccines.This paper provides an overview of the present market and clinical trial progress of peptide-based therapeutics,delivery platforms,and vaccines.It examines the key areas of research in peptide-based drug development through a literature analysis and emphasizes the structural modification principles of peptide-based drugs,as well as the recent advancements in screening,design,and delivery technologies.The accelerated advancement in the development of novel peptide-based therapeutics,including peptide-drug complexes,new peptide-based vaccines,and innovative peptide-based diagnostic reagents,has the potential to promote the era of precise customization of disease therapeutic schedule.展开更多
基金The National Natural Science Foundation of China(Grant No.81573273,81673279,21572010 and 21772005)National Major Scientific and Technological Special Project for"Significant New Drugs Development"(Grant No.2018ZX09735001-003)
文摘Natural products（NPs） have long been recognized as a valuable resource for drug discovery, and bringing NP-related features to virtual libraries is believed to be an effective way to increase the coverage of druggable chemical space. Here, deep learning-based molecule generative model, which is a recent technique in de novo molecule design, was applied to generate virtual libraries with NP-like properties. Results demonstrated that the model was effective in generating molecules that highly resemble NPs. Moreover, the model was also found to be capable of generating NP-like molecules that were also easy to synthesize, significantly increasing the practical value of the compound library.
基金supported by the Ministry of Education of P.R.China(Grant No.07JJD870221)
文摘As an important part of National Digital Library(NDL),the National Digital Library Project(NDLP),which was launched in 2005,has attracted wide attention of the society in general.This paper introduces the general situation of the project from the following aspects,namely,the characteristics,objectives and contents.It also expounds on the basic ideas and the overall structure of the project and gives an introduction to the design of its basic platform,its application platform,its business management system and its standardization control system.In this paper,the digital resources construction and service delivery of the National Library of China(NLC)are introduced to cover both its present operation as well as those in conjunction with the opening of its new library building during its second-phase of library development.Finally,the most important and difficult point in the construction of the National Digital Library Project is analyzed from the following four perspectives:1)The long-term preservation of digital resources;2)the construction of knowledge organization system;3)the organic integration of the digital library and the traditional library;and 4)the risk of project management and system integration.
基金supported by the Natural Science Foundation of China(No.82073311)Science&Technology Department of Sichuan Province Individualized Drug Therapy Small Molecule Innovative Drugs Sichuan Youth Science and Technology Innovation Research Team(No.2022JDTD0025)Sichuan Traditional Chinese Medicine Administration(No.2023MS026).
文摘The successful approval of peptide-based drugs can be attributed to a collaborative effort across multiple disciplines.The integration of novel drug design and synthesis techniques,display library technology,delivery systems,bioengineering advancements,and artificial intelligence have significantly expedited the development of groundbreaking peptide-based drugs,effectively addressing the obstacles associated with their character,such as the rapid clearance and degradation,necessitating subcutaneous injection leading to increasing patient discomfort,and ultimately advancing translational research efforts.Peptides are presently employed in the management and diagnosis of a diverse array of medical conditions,such as diabetes mellitus,weight loss,oncology,and rare diseases,and are additionally garnering interest in facilitating targeted drug delivery platforms and the advancement of peptide-based vaccines.This paper provides an overview of the present market and clinical trial progress of peptide-based therapeutics,delivery platforms,and vaccines.It examines the key areas of research in peptide-based drug development through a literature analysis and emphasizes the structural modification principles of peptide-based drugs,as well as the recent advancements in screening,design,and delivery technologies.The accelerated advancement in the development of novel peptide-based therapeutics,including peptide-drug complexes,new peptide-based vaccines,and innovative peptide-based diagnostic reagents,has the potential to promote the era of precise customization of disease therapeutic schedule.
