DallphinAtoM: Physiologically based pharmacokinetics software predicting human PK parameters based on physicochemical properties, in vitro and animal in vivo data

基于生理学的药代动力学模型 广告 计算机科学 药物开发 生物信息学 药代动力学 药理学 药品 计算生物学 生物 生物化学 基因
作者
Suein Choi,Sungpil Han,So Jin Lee,Byunghee Lim,Soo Hyeon Bae,Seunghoon Han,Dong‐Seok Yim
出处
期刊:Computer Methods and Programs in Biomedicine [Elsevier BV]
卷期号:216: 106662-106662
标识
DOI:10.1016/j.cmpb.2022.106662
摘要

In silico experiments and simulations using physiologically based pharmacokinetic (PBPK) and allometric approaches have played an important role in pharmaceutical research and drug development. These methods integrate diverse data from preclinical and clinical development, and have been widely applied to in vitro-in vivo extrapolation (IVIVE) of absorption, distribution, metabolism, and excretion (ADME).To develop a user-friendly open tool predicting human PK, we assessed various references on PBPK and allometric methods published so far. They were integrated into a software system named "DallphinAtoM" (Drugs with ALLometry and PHysiology Inside-Animal to huMan), which has a user-friendly platform that can handle complex PBPK models and allometric models with a relatively small amount of essential information of the drug. The models of DallphinAtoM support the integration of data gained during the nonclinical development phase, enable translation from animal to human, and allow the prediction of concentration-time profiles with predicted PK parameters.We presented two illustrative applications using DallphinAtoM: (1) human PK simulation of an orally administered drug using PBPK method; and (2) simulation of intravenous infusion following a two-compartment model using the allometric scaling method.We conclude that this is a straightforward and transparent tool allowing fast and reliable human PK simulation based on the latest knowledge on biochemical processes and physiology and provides valuable information for decision making during the early-phase drug development.
最长约 10秒,即可获得该文献文件

科研通智能强力驱动
Strongly Powered by AbleSci AI
更新
PDF的下载单位、IP信息已删除 (2025-6-4)

科研通是完全免费的文献互助平台,具备全网最快的应助速度,最高的求助完成率。 对每一个文献求助,科研通都将尽心尽力,给求助人一个满意的交代。
实时播报
1秒前
积极行天发布了新的文献求助50
1秒前
受伤凌蝶发布了新的文献求助10
4秒前
fusucheng完成签到,获得积分10
5秒前
koi完成签到,获得积分20
5秒前
5秒前
聪明摩托完成签到,获得积分10
5秒前
阿纯完成签到,获得积分10
6秒前
7秒前
肱二头肌完成签到,获得积分10
8秒前
9秒前
小王发布了新的文献求助10
9秒前
多情自古空余恨完成签到,获得积分10
10秒前
Qionglin完成签到,获得积分10
12秒前
Bao完成签到 ,获得积分10
13秒前
13秒前
初夏微凉发布了新的文献求助30
13秒前
14秒前
书霂完成签到,获得积分10
14秒前
优秀含羞草完成签到,获得积分10
15秒前
宓沂完成签到,获得积分10
15秒前
vivre223完成签到,获得积分10
15秒前
量子星尘发布了新的文献求助10
16秒前
受伤凌蝶完成签到,获得积分10
17秒前
wenjiejiang完成签到,获得积分10
18秒前
18秒前
zly完成签到 ,获得积分10
19秒前
19秒前
李某人完成签到,获得积分10
19秒前
20秒前
小鱼完成签到,获得积分10
21秒前
小崽总完成签到,获得积分10
21秒前
挽风完成签到,获得积分10
24秒前
24秒前
dxs发布了新的文献求助10
24秒前
苹果沛柔完成签到,获得积分10
25秒前
111完成签到 ,获得积分10
25秒前
Amon完成签到 ,获得积分10
26秒前
结实寄柔完成签到,获得积分10
27秒前
dh完成签到,获得积分0
27秒前
高分求助中
【提示信息,请勿应助】关于scihub 10000
Les Mantodea de Guyane: Insecta, Polyneoptera [The Mantids of French Guiana] 3000
徐淮辽南地区新元古代叠层石及生物地层 3000
The Mother of All Tableaux: Order, Equivalence, and Geometry in the Large-scale Structure of Optimality Theory 3000
Global Eyelash Assessment scale (GEA) 1000
Picture Books with Same-sex Parented Families: Unintentional Censorship 550
Research on Disturbance Rejection Control Algorithm for Aerial Operation Robots 500
热门求助领域 (近24小时)
化学 材料科学 医学 生物 工程类 有机化学 生物化学 物理 内科学 纳米技术 计算机科学 化学工程 复合材料 遗传学 基因 物理化学 催化作用 冶金 细胞生物学 免疫学
热门帖子
关注 科研通微信公众号,转发送积分 4038388
求助须知:如何正确求助?哪些是违规求助? 3576106
关于积分的说明 11374447
捐赠科研通 3305798
什么是DOI,文献DOI怎么找? 1819322
邀请新用户注册赠送积分活动 892672
科研通“疑难数据库(出版商)”最低求助积分说明 815029