Molecular Diversity

Gold nanoparticles-conjugation of irisin enhances therapeutic effect by improving cardiac function and attenuating inflammation in sepsis.

FDI-6 inhibits VEGF-B expression in metastatic breast cancer: a combined in vitro and in silico study.

Synthesis, molecular docking and molecular dynamics simulations, drug-likeness studies, ADMET prediction and biological evaluation of novel pyrazole-carboxamides bearing sulfonamide moiety as potent carbonic anhydrase inhibitors.

Design and synthesis of new quinazolinone derivatives: investigation of antimicrobial and biofilm inhibition effects.

Design, synthesis, and anti-breast cancer activity evaluation of novel 3-cyanopyridine derivatives as PIM-1 inhibitors.

设计、合成新型 3-氰基吡啶衍生物并评价其作为 PIM-1 抑制剂的抗乳腺癌活性

Identification of STAT3 phosphorylation inhibitors using generative deep learning, virtual screening, molecular dynamics simulations, and biological evaluation for non-small cell lung cancer therapy.

利用生成式深度学习、虚拟筛选、分子动力学模拟和生物学评价来鉴定 STAT3 磷酸化抑制剂，用于非小细胞肺癌治疗

Discovery of potential quality markers of Fritillariae thunbergii bulbus in pneumonia by combining UPLC-QTOF-MS, network pharmacology, and molecular docking

结合UPLC-QTOF-MS、网络药理学和分子对接寻找肺炎中浙贝母的潜在质量标志物

An investigation of binding interactions of tumor-targeted peptide conjugated polyphenols with the kinase domain of ephrin B4 and B2 receptors

肿瘤靶向肽结合多酚与 Ephrin B4 和 B2 受体激酶结构域结合相互作用的研究

New antiproliferative 3-substituted oxindoles inhibiting EGFR/VEGFR-2 and tubulin polymerization

抑制 EGFR/VEGFR-2 和微管蛋白聚合的新型抗增殖 3-取代氧吲哚

Microwave produced 8-methyl-1,2,4,8-tetraazaspiro[4.5]dec-2-en-3-amine derivatives: their in vitro and in silico analysis

微波制备 8-甲基-1,2,4,8-四氮杂螺[4.5]癸-2-烯-3-胺衍生物：体外和计算机模拟分析