Core C: Medicinal Chemistry and DMPK

核心 C：药物化学和 DMPK

基本信息

批准号：
10522807
负责人：
Thomas D Bannister
金额：
$ 1314.19万
依托单位：
UNIVERSITY OF MINNESOTA
依托单位国家：
美国
项目类别：
财政年份：
2022
资助国家：
美国
起止时间：
2022-05-16 至 2025-04-30
项目状态：
未结题

来源：
https://reporter.nih.gov/project-details/10522807
关键词：
Antiviral Agents Area Biochemical Biological Assay Blood Cells Chemicals Chicago Cluster Analysis Collaborations Cryoelectron Microscopy DNA Development Dose Drug Kinetics Ebola Human Resources Illinois In Vitro Industrialization Lead Libraries Liver Microsomes Metabolism Midwestern United States Minnesota Mississippi Modification Oral Patients Permeability Pharmaceutical Chemistry Pharmaceutical Preparations Philosophy Prevention Problem Solving Property Research Research Personnel Resources Risk Roentgen Rays Role SARS-CoV-2 entry inhibitor SARS-CoV-2 inhibitor Safety Schedule Scientist Series Site Solubility Structure Structure-Activity Relationship Therapeutic Toxic effect Translations Triage Virus Work analog antiviral drug development base clinical development clinical translation computational chemistry design drug candidate drug development drug discovery drug distribution drug metabolism efficacy study experience follow-up helicase high risk high throughput screening in vivo insight interest multidisciplinary novel pandemic disease pathogen pathogenic virus pharmacokinetics and pharmacodynamics preclinical development scaffold screening small molecule structural biology success targeted agent translational potential

项目摘要

Core C – Medicinal Chemistry and DMPK ABSTRACT The discovery of possible drug candidates requires effective collaboration of diverse teams of skilled scientists. Medicinal chemists fulfill a core problem solving role, generally leading efforts to overcome the myriad of obstacles sure to be encountered in any drug discovery campaign. A great many of these hurdles typically involve overcoming deficiencies in drug metabolism and pharmacokinetic (DMPK) properties. Core C of the Midwest AViDD Center centralizes medicinal chemistry and DMPK support functions, with a key role for computational chemistry in impacting hit-to-lead efforts. Core C is comprised of top researchers in their fields, located at 8 different research sites: Scripps-FL, U. Minnesota, Georgia State U, U. Illinois-Chicago, U. Mississippi, N.Y. Blood Center, U.C San Diego, and U.C. Berkeley. The effort seeks not to merely validate new targets and discover “probes” that are ill-suited for development but is focused on the delivery of agents with high translational potential. This philosophy derives in part from the extensive industrial experience of many key personnel in the core. Objectives include the identification and triage of validated hit series, their optimization to validated leads, and finally to the delivery of tractable orally bioavailable drug development candidates in multiple target areas for viruses with high pandemic potential.

核心C - 药物化学和DMPK 抽象的发现可能的候选药物需要有效的熟练科学家团队的有效合作。药物化学家履行了解决核心问题的作用，通常领导着克服无数的努力在任何药物发现运动中肯定会遇到障碍。这些障碍中的许多通常涉及克服药物代谢和药代动力学（DMPK）特性的缺陷。中西部的核心C Avidd Center集中了药物化学和DMPK支持功能，具有计算的关键作用在影响命中率努力的化学方面。 Core C由其领域的顶级研究人员组成，位于8 不同的研究地点：乔治亚州U.明尼苏达州U.伊利诺伊州 - 芝加哥，美国密西西比州，纽约州，乔治亚州U.明尼苏达州。圣地亚哥大学血液中心和美国伯克利。这项努力不仅要验证新目标，并且发现不适合开发但专注于较高代理商的“探针” 翻译潜力。这种哲学部分源自许多关键的广泛工业经验核心人员。目标包括经过验证的HIT系列的识别和分类，其优化为经过验证的潜在客户，最后是在多个的可访问口服的口服生物利用药物开发候选候选者具有高流行潜力的病毒的目标区域。