【摘 要】
：
Drug safety is one of the key issues in the future realization of precision medicine.However,the molecular basis of the adverse drug reactions (ADRs) has no
【机 构】
：
厦门大学生命科学学院,细胞应激生物学国家重点实验室,厦门361102
【出 处】
：
第七届全国生物信息学与系统生物学学术大会
论文部分内容阅读
Drug safety is one of the key issues in the future realization of precision medicine.However,the molecular basis of the adverse drug reactions (ADRs) has not been fully understood yet.To complement this gap,we constructed the first comprehensive ADR ontology knowledgebase in the world,namely ADReCS,to provide not only ADR standardization but also hierarchical classification of ADR terms.Upon this database,we carried out large-scale statistical analyses for systematical characterization of ADRs from three aspects: indication,drug structure and target profile.We observed that drugs are prone to inducing ADRs in the same organ systems as that of their indications.Such propensity suggests that many ADRs likely have the similar molecular basis as what the drugs exert their therapeutic effects.Further drug-drug interaction network analysis based on ADR profile hints novel indications of current marketing drugs.To illustrate the impact of chemical structure on ADRs,we demonstrated an association analysis between chemical substructures (fingerprints) and their ADR profiles.A list of "good" and "bad" scaffolds were identified that can serve as an indicator in evaluating drug safety or guiding fine drug design for precision medicine.In summary,we found some general rules underlying ADRs.These rules provide clues for mechanistic investigation of ADRs,and furthermore,for rapid drug safety assessment in early drug discovery stage.
其他文献
New demands and expectations for predicting protein-protein interactions have been emerging with the development of computer power and experimental techniqu
Large-scale conformational change is frequently essential for the proper functioning of macromolecules,especially for membrane transporters and channels,whi
Alternative splicing is a special biological process.It leads to protein diversity by allowing a single gene generate multiple mRNA products.Current studies
In contrast to the recent exploration of next-generation sequencing data,the applications of large-scale proteomic data in cancer research and patient care
RNA molecules are involved in various biological processes,such as catalytic and regulatory ones.To perform these functions,they need to form special tertia
The overall topology and interracial interactions play key roles in understanding structural and functional principles of protein complexes.Elastic network
I will introduce and present two bioinformatics software packages,RNAfinder and RNAstructure and their biological (i.e.,plant) and medical (i.e.,cancer) app
Despite the explosion in the numbers of cancer genomic studies,metastasis is still the major cause of cancer mortality.In breast cancer,approximately one-fi
The common transition metal ions include Fe2+,Fe3+,Mg2+,Mn2+,Zn2+,Cu2+and so on.They play the role of stability,helping maintain protein structure and regul
Knowledge about protein interaction sites provides detailed information of protein-protein interactions (PPIs).To date,nearly twenty thousands of PPIs from