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药物设计的策略方法。II. 磷酸二酯酶底物和抑制剂的建模研究。

Strategic approaches to drug design. II. Modelling studies on phosphodiesterase substrates and inhibitors.

作者信息

Davis A, Warrington B H, Vinter J G

机构信息

Smith Kline & French Research, The Frythe, Herts, U.K.

出版信息

J Comput Aided Mol Des. 1987 Jul;1(2):97-119. doi: 10.1007/BF01676955.

DOI:10.1007/BF01676955
PMID:2848100
Abstract

Modelling studies have been carried out on the phosphodiesterase (PDE) substrates, adenosine- and guanosine-3'5'-cyclic monophosphates, and on a number of non-specific and type III-specific phosphodiesterase inhibitors. These studies have assisted the understanding of PDE substrate differentiation and the design of potent, selective PDE type III inhibitors.

摘要

已针对磷酸二酯酶（PDE）底物3',5'-环磷酸腺苷和3',5'-环磷酸鸟苷以及多种非特异性和III型特异性磷酸二酯酶抑制剂开展了建模研究。这些研究有助于理解PDE底物的区分以及强效、选择性III型PDE抑制剂的设计。

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本文引用的文献

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Activating effects of AR-L 115 BS on the Ca2+ sensitive force, stiffness and unloaded shortening velocity (Vmax) in isolated contractile structures from mammalian heart muscle.AR-L 115 BS对哺乳动物心肌离体收缩结构中Ca2+敏感力、硬度和无负荷缩短速度（Vmax）的激活作用。
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Identification and properties of cyclic nucleotide phosphodiesterases.环核苷酸磷酸二酯酶的鉴定及特性
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Functional group contributions to drug-receptor interactions.
药物作用分析中的多构象复合分子势场。I. 方法及以5-羟色胺和组胺作用为例的首次评估
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Relative binding orientations of adenosine A1 receptor ligands--a test case for Distributed Multipole Analysis in medicinal chemistry.腺苷A1受体配体的相对结合取向——药物化学中分布式多极分析的一个测试案例。
J Comput Aided Mol Des. 1995 Feb;9(1):44-54. doi: 10.1007/BF00117277.
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The matching of electrostatic extrema: a useful method in drug design? A study of phosphodiesterase III inhibitors.静电极值的匹配：药物设计中的一种有用方法？磷酸二酯酶III抑制剂的研究。
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The effect of SK&F 95654, a novel phosphodiesterase inhibitor, on cardiovascular, respiratory and platelet function.新型磷酸二酯酶抑制剂SK&F 95654对心血管、呼吸及血小板功能的影响。
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Conformations of cyclic 3',5'-nucleotides. Effect of the base on the synanti conformer distribution.环状3',5'-核苷酸的构象。碱基对顺反异构体分布的影响。
Biochem Biophys Res Commun. 1974 Jan;56(1):119-26. doi: 10.1016/s0006-291x(74)80323-2.
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Relationship between the inhibition constant (K1) and the concentration of inhibitor which causes 50 per cent inhibition (I50) of an enzymatic reaction.抑制常数（K1）与导致酶促反应50%抑制率（I50）的抑制剂浓度之间的关系。
Biochem Pharmacol. 1973 Dec 1;22(23):3099-108. doi: 10.1016/0006-2952(73)90196-2.
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Cardiotonic agents. 4. Synthesis and biological evaluation of N-substituted 2,4,4a,5-tetrahydro-3H-indeno[1,2-c]pyridazin-3-ones: rigid structures derived from CI-930 and analogues.
J Med Chem. 1986 Nov;29(11):2142-8. doi: 10.1021/jm00161a003.
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J Med Chem. 1985 May;28(5):537-45. doi: 10.1021/jm50001a001.