| 查看: 8261 | 回复: 88 | |||||||
| 【奖励】 本帖被评价78次，作者雷光月增加金币 61.8 个 | |||||||
| 当前只显示满足指定条件的回帖，点击这里查看本话题的所有回帖 | |||||||
[资源]
★★★★2015超级贴二〇五二《Molecular Drug Properties》
|
|||||||
|
书名Molecular Drug Properties 作者Raimund Mannhold 页数504 出版社wiley ISBN 978-3-527-31755-4Contents List of Contributors XIX Preface XXIII A Personal Foreword XXV I Introduction 1 A Fresh Look at Molecular Structure and Properties 3 Bernard Testa, Giulio Vistoli, and Alessandro Pedretti 1.1 Introduction 3 1.2 Core Features: The Molecular “Genotype” 5 1.2.1 The Argument 5 1.2.2 Encoding the Molecular “Genotype” 6 1.3 Observable and Computable Properties: The Molecular “Phenotype” 6 1.3.1 Overview 6 1.3.2 Equilibria 8 1.3.3 Stereoelectronic Features 9 1.3.4 Recognition Forces and Molecular Interaction Fields (MIFs) 9 1.3.5 Macroscopic Properties 9 1.4 Molecular Properties and their Adaptability: The Property Space of Molecular Entities 10 1.4.1 Overview 10 1.4.2 The Versatile Behavior of Acetylcholine 11 1.4.3 The Carnosine–Carnosinase Complex 15 1.4.4 Property Space and Dynamic QSAR Analyses 19 1.5 Conclusions 21 2 Physicochemical Properties in Drug Profi ling 25 Han van de Waterbeemd 2.1 Introduction 26 2.2 Physicochemical Properties and Pharmacokinetics 28 2.2.1 DMPK 28 2.2.2 Lipophilicity – Permeability – Absorption 28 VII Molecular Drug Properties. Measurement and Prediction. R. Mannhold (Ed.) Copyright © 2008 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim ISBN: 978-3-527-31755-4 VIII Contents 2.2.3 Estimation of Volume of Distribution from Physical Chemistry 30 2.2.4 PPB and Physicochemical Properties 30 2.3 Dissolution and Solubility 30 2.3.1 Calculated Solubility 32 2.4 Ionization (pKa) 32 2.4.1 Calculated pKa 33 2.5 Molecular Size and Shape 33 2.5.1 Calculated Size Descriptors 33 2.6 H-bonding 34 2.6.1 Calculated H-bonding descriptors 34 2.7 Lipophilicity 35 2.7.1 Calculated log P and log D 37 2.8 Permeability 37 2.8.1 Artifi cial Membranes and PAMPA 37 2.8.1.1 In Silico PAMPA 39 2.8.2 IAM, Immobilized Liposome Chromatography (ILC), Micellar Electrokinetic Chromatography (MEKC) and Biopartitioning Micellar Chromatography (BMC) 39 2.8.3 Liposome Partitioning 39 2.8.4 Biosensors 40 2.9 Amphiphilicity 40 2.10 Drug-like Properties 40 2.11 Computation versus Measurement of Physicochemical Properties 42 2.11.1 QSAR Modeling 42 2.11.2 In Combo: Using the Best of two Worlds 42 2.12 Outlook 43 II Electronic Properties and H-Bonding 3 Drug Ionization and Physicochemical Profi ling 55 Alex Avdeef 3.1 Introduction 55 3.1.1 Absorption, the Henderson–Hasselbalch Equation and the pH-partition Hypothesis 56 3.1.2 “Shift-in-the-pKa” 57 3.2 Accurate Determination of Ionization Constants 58 3.2.1 Defi nitions – Activity versus Concentration Thermodynamic Scales 58 3.2.2 Potentiometric Method 60 3.2.3 pH Scales 60 3.2.4 Cosolvent Methods 60 3.2.5 Recent Improvements in the Potentiometric Method Applied to Sparingly Soluble Drugs 61 3.2.6 Spectrophotometric Measurements 61 3.2.7 Use of Buffers in UV Spectrophotometry 62 3.2.8 pKa Prediction Methods and Software 63 Contents IX 3.2.9 Tabulations of Ionization Constants 63 3.3 “Octanol” and “Membrane” pKa in Partition Coeffi cients Measurement 63 3.3.1 Defi nitions 64 3.3.2 Shape of the Log Doct–pH Lipophilicity  1.jpg |
回复此楼» 本帖附件资源列表
-
欢迎监督和反馈：小木虫仅提供交流平台，不对该内容负责。
本内容由用户自主发布，如果其内容涉及到知识产权问题，其责任在于用户本人，如对版权有异议，请联系邮箱：xiaomuchong@tal.com - 附件 1 : (Methods_and_Principles_in_Medicinal_Chemistry_37)_Mannhold-Molecular_Drug_Properties._Measurement_and_Prediction-Wiley_(2007).pdf
2015-08-03 22:56:01, 4.19 M
» 收录本帖的淘帖专辑推荐
 2014书籍超级帖 | 【制药】合成 | 外文期刊著作8475 | 要用的啊啊 |
| 药学著作8475 |
» 猜你喜欢
极限拉扯，如何抉择
已经有15人回复
-
申请科研项目纯靠实力能成功吗？
已经有8人回复
-
中科院海洋所招收海洋材料相关领域博士研究生及研究助理
已经有4人回复
-
40+中年人失业后，还能找到好工作吗？
已经有3人回复
-
二审4个多月了还是Awaiting Reviewer Scores
已经有4人回复
-
OpenAI又攻克数学难题了，离AI做有机合成还有多远？
已经有13人回复
-
课题组会帮你通过考核么？
已经有7人回复
-
入职后第一次管课题组的专利缴费，对账才发现官费比别人多掏了一倍
已经有6人回复
-
售一区SCI文章T0P，我:8O.551.O54,科目全,可十急
已经有9人回复
-
售SCI一区文章，我:8O5.5.1.O5.4,科目全,可伽急
已经有10人回复
52楼2015-08-27 17:10:37
简单回复
yangming9853楼
2015-08-27 19:40
回复
顶一下，感谢分享！
200
