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Peptidomimetic Library
MCE 国际站:Peptidomimetic Library
Peptidomimetics are compounds whose essential elements (pharmacophore) mimic a natural peptide or protein in 3D space and which retain the ability to interact with the biological target and produce the same biological effect. Peptidomimetics are designed to circumvent some of the problems associated with a natural peptide: e.g. stability against proteolysis (duration of activity) and poor bioavailability. Certain other properties, such as receptor selectivity or potency, often can be substantially improved. The design and synthesis of peptidomimetics are most important because of the dominant position peptide and protein-protein interactions play in molecular recognition and signaling, especially in living systems. Hence mimics have great potential in drug discovery. MCE Peptidomimetic Library contains 376 compounds including peptoid, α-helix mimetics, β-turn/sheets mimetics, etc. This library is an indispensable tool of structure-activity relationships in drug discovery.
Description & Advantages:
• A unique collection of 376 compounds that act as substitutes for peptides in their interaction with receptors for drug discovery.
• In contrast to natural peptides, compounds have high affinity and selectivity, high absorbent and metabolic stability and no immunogenicity.
• Peptoid, α-helix mimetics, β-turn/sheets mimetics and compounds target protein-protein interactions are included.
• A useful tool for the discovery of peptide-like drugs.
• More detailed compound information with structure, IC50, and other chemical & biological data.
• NMR and HPLC validated ensure high purity.
• All compounds are in stock and continuously updated.
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文献和实验,根据分子足迹分析,C 链残基 I619 -I626 与五螺旋区域有着最为紧密的联系,并将 I619 -I626 作为参考配体。A 图:GP41 的 CHR 多肽区域与 GP2 五螺旋束之间的静电与范德华力的分子足迹(footprint profiles)分析B 图:靶点蛋白的关键性作用残基3. 分子库准备来自于 ZINC 上面的 170 万个的一个类药化合物库。作者根据分子的旋转键将这个化合物库分为了 42 个小类,每个最多 50000 个分子。4. 对接对接程序使用的使 MPI 版本的 DOCK
衣霉素 tunicamycin 为放线菌 Streptomyces lysosuperficus产生的核苷酸抗生素。可抑制具有被膜( envelope,含糖蛋白)的病毒的繁殖。作用机理是抑制合成糖蛋白糖链必需的拟脂(多萜醇, dolichol)中间产物的生成。又因为它可抑制在合成细菌细胞壁的肽聚糖或胞壁酸中必需的拟脂(细菌萜醇,多聚萜醇)中间产物的形成,所以显示对革兰氏阳性菌的抗菌性。最近,利用这种抑制拟脂中间产物形成的作用,来探索糖类复合物的活体合成及其功能。
毛细管电泳及其应用(capillary electrophoresis,CE)(图)
素的活性肽段和拟糖蛋白的结合能力。 BPA:羊蹄甲凝集素,对半乳糖专一 LCA:小扁豆凝集素,对葡萄糖/甘露糖专一 BPA-10: BPA的活性碎片(10肽) LCA-9:LCA的活性碎片(9肽) 拟糖蛋白:半乳糖牛血清白蛋白(Gal-BSA) 甘露糖牛血清白蛋白(Man-BSA) L-岩藻糖牛血清白蛋白(L-Fuc-BSA) 结合反应:肽溶液和拟糖蛋白溶液等体积混合后,室温放置过夜。 A:BPA-10 B:BPA-10和Gal-BSA的混合物
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