Identify Off Target Pharmacology and Address Safety Issues Earlier in the Drug Discovery Process

来源 :第九届IUPAC化学生物学国际研讨会暨第八届世界华人药物化学研讨会 | 被引量 : 0次 | 上传用户:danielwu
下载到本地 , 更方便阅读
声明 : 本文档内容版权归属内容提供方 , 如果您对本文有版权争议 , 可与客服联系进行内容授权或下架
论文部分内容阅读
  Safety is one of the key issues in drug discovery and development,nearly half of drug candidates entering into pre-clinical development will be lost due to lack of safety.Drugs carry the risk to produce unwanted side effects through interactions with multiple targets that could potentially harm the patient,so it is crucial to know in advance about the targets that a drug is interacting with.The presentation describes how you can assess the target profile of a particular compound using PredictFXTM,a new modeling and simulation program that provides improved opportunities to identify,monitor,and address safety issues earlier in the process,by predicting the off-target pharmacology of a drug lead compound from its 2D chemical structure.
其他文献
Multidrug resistance(MDR) is a major obstacle to successful cancer chemotherapy,and novel biologically based treatment strategies that can overcome MDR are urgently needed.1,2 In this study,a series o
会议
Anthracyclines are considered to be some of the most effective anticancer drugs for cancer therapy,but are limited by drug-resistance and cardiotoxicity.To overcome drug resistance,we designed a 3-azi
会议
Influenza viruses cause common flu and influenza pandemics.There are two glycoproteins on viral surface,hemagglutinin(HA) and neuraminidase(NA).While NA is believed to be crucial in the budding proces
会议
Aquired Immune Deficiency Syndrome(AIDS) caused by human immunodeficiency virus(HIV),is still prevalent worldwide.The most efficient and standard treatment regimen for HIV-1 infection,namely as highly
会议
Rho GTPases impact a wide range of cellular activities important for oncogenesis.When we screened for small molecule inhibitors of the transforming capabilities of activated Rho GTPases,we found that
会议
Covalent attachment of poly(ethylene glycol)(PEG) molecules to drugs,proteins,nanoparticles and liposomes is a proven technology for improving their bioavailability,safety,and efficacy.Qualitative and
会议
Scientists found that the abnormal regulation of cell cycle expression is a hallmark of cancer,which is associated with dysregulation of cyclin dependent kinases(CDKs)/cyclin.Therefore,discovery of hi
会议
Four types of new flavonoids including flavanones,chalcones,aurones and isoflavanones were designed,synthesized and evaluated for their anti-tumor activities,protection of vascular endothelial cells,i
会议
In recent years,"compact molecules"e.g.4-membered heterocyclic compounds have received increased attention in pharmaceutical industry because of the uniqueness in the generation of IP position,as well
会议
Human chemokine receptors are integral membrane proteins that specifically bind and respond to cytokines of the chemokine family.They belong to a large protein family,the G-protein coupled receptors(G
会议