doi:10.1038/nrd1030KirkpatrickPeterNature Reviews Drug DiscoveryKirkpatrick, P. Structure-based drug design: Can GPCR models work? Nat. Rev. Drug Discov., 2003, 2, 171-171.
[5] CAO D, ZHANG P, WANG S. Advances in structure-based drug design: The potential for precision therapeutics in psychiatric disorders [J].Neuron, 2024, 112(4): 526-38. [6] GUSACH A, MASLOV I, LUGININA A, et...
为了进一步加快全球化管线布局,唯久生物与佰翱得达成SBDD(Structure-Based Drug Design, 基于结构的药物设计)的长期合作。公司通过佰翱得一流的Cryo-EM蛋白结构解析技术,搭建了独特的V-IDDEAL药物设计和评估平台,将在GPCR、PRR(模式识别受体)、重要代谢酶等高价值靶点及研究领域,快速高效地开展国内外领先的SBDD及成药...
尽管在过去5年中有许多新的GPCR药物进入市场,但这些药物都是在靶向GPCR的结构被公布后才发现的,而SBDD(基于结构的药物设计,structure-based drug design)在药物设计中的作用时间足够长,鉴于上述药物发现的时间尺度,这或许并不奇怪。因此,尽管一些药物在解决GPCR结构和进入临床试验之间存在显著的时间间隔(大于5年),但目...
Finally, we highlight how the widespread GPCR-druggable allosteric sites can guide structure- or mechanism-based drug design and propose prospects of designing bitopic ligands for the future therapeutic potential of targeting this receptor family....
Guiding the Development of an HIV Vaccine with Structure-Based Drug Design Novel drug development in the fight against the HIV pandemic... by Tilak Gupta / 03.21.2025 Read More What is cryo-EM? Cryo-EM: cryo electron microscopy Cryo-electron microscopy (... by Alex Ilitchev /...
Classical structure-based drug design techniques using G-protein-coupled receptors (GPCRs) as targets focus nearly exclusively on binding at the orthosteric site of a single receptor. Dimerization and oligomerization of GPCRs, proposed almost 30 years ago, have, however, crucial relevance for drug ...
The most important new approach in GPCR technology is the structure-based design of agonist and antagonist ligands. New GPCR X-ray structures, including both antagonist-bound and agonist-bound complexes, provide detailed insight into the structural basis of drug action and guide the design of new ...
Structure-based drug design targeting the orthosteric sites of GPCRs Orthosteric small molecule modulators are the most universal non-peptide regulators of GPCRs. By competing with endogenous ligands, they interact with the orthosteric binding pocket (OBP) and exert a full agonistic112,113/partial ago...
【11】Slosky LM, Caron MG, Barak LS. Biased Allosteric Modulators: New Frontiers in GPCR Drug Discovery. Trends Pharmacol Sci. 2021;42(4):283-299. doi:10.1016/j.tips.2020.12.005 【12】Miao Y, Goldfeld DA, Moo EV, et al. Accelerated structure-based design of chemically diverse allosteric...