lead compounds

Oxindole (Indolin-2-one) 是一种芳族杂环砌块，其衍生物是激酶抑制剂研究中的主要成分。

Sophoridine (Dihydro-5-episophocarpine) 是一种从豆科植物槐豆斜生植物的叶子中分离出来的喹喔啉生物碱。它是胰腺癌的候选药物，诱导细胞凋亡。

Atraric acid 衍生物作为一种新的化学先导结构，用于作为 AR 拮抗剂的新型治疗化合物，可用于预防或治疗前列腺疾病。它以剂量依赖性方式抑制 PTP1B 活性，IC50 值为 51.5 uM，表明阿特拉酸具有治疗糖尿病的潜力。

Betrixaban maleate 是一种非维生素 K 口服抗凝剂，其作用是由 Xa 因子的竞争性和可逆抑制作用驱动的。

AVX 13616 shows the potent in vivo antibacterial activity of Avexa’s lead antibacterial candidate; particularly against drug-resistant Staphylococcus pathogens. IC50 value: 2-4 ug ml (MICs) Target: antibacterial agent AVX13616 was as active as mupirocin i

Lead Ionophore IV是一种具有催化金属离子跨膜运输能力的离子载体。该化合物广泛应用于生物学研究，用于探索铅离子的生物效应及其对细胞功能的作用。此外，Lead Ionophore IV亦被用于药物传递系统的开发中，旨在增强化合物的生物可用性。

Mitochondrial release of cytochrome c triggers apoptosis via the assembly of a multimeric complex including caspase-9, Apaf-1, and other components, sometimes called the apoptosome. Library screens have identified small molecules that activate the apoptosome by binding to one or more of its components. CAY10443 is one such molecule. In a cell free, multi-component assay, it activated caspase-3 with an EC50 of 5 μM. These apoptotic activators represent therapeutic lead compounds for the development of antitumor drugs.

Gracillin 是一种甾体皂苷，从植物的根里提取得到，有抗肿瘤作用。

DSM502 是一种二氢乳清酸脱氢酶 (DHODH) 抑制剂，具有抗疟活性，抑制 Plasmodium DHODH，可作为抗疟化合物的先导物。

Antiviral agent 8, surpassing lead compounds crocin-1 and crocin-2, has been identified as a potent and promising candidate with enhanced antiviral activities.

5'-O-TBDMS-N2-ibu-dG is a nucleoside derivative that possesses potent anti-bovine viral diarrhea virus activity. It serves as a valuable compound for the synthesis of lead compounds with such activity.

Betrixaban (PRT054021) 是一种口服具有活力的选择性factor Xa(fXa) 抑制剂，IC50=1.5 nM。

Ingenol ((-)-Ingenol) 是一种PKC 激活剂，Ki 值为 30 μM，具有抗肿瘤活性。 从 Ingenol 酯中配制新的衍生物可能是开发新的先导化合物以重新激活潜伏 HIV 的创新方法。Ingenol mebutate 是治疗光化性角化病的有效方法。

SARS-CoV-2 3CLpro-IN-15（compound a）为β-硝基苯乙烯型抑制剂，专门针对SARS-CoV-2的3CL蛋白酶（3CLpro）而设计。该化合物能有效抑制病毒的复制转录过程，是研发抗COVID-19候选先导化合物的关键因素。

HDAC3-IN-5 (9c) 作为一种高选择性的HDAC3抑制剂,其IC50值在HDAC3、HDAC2 和HDAC1 对应为4.2 nM、1629 nM 和 298.2 nM.该化合物能有效在体外诱导MV4-11细胞的凋亡并减少抗凋亡蛋白的表达.因此,作为HDAC3的选择性抑制剂,HDAC3-IN-5 (9c) 有潜力成为针对Venetoclax耐药性逆转的先导化合物.

Jujubosides have hypnotic effect on normal rats, may be influenced by circadian rhythm and the serotonergic system may involve in the hypnotic effect of jujubosides, jujubosides may be good source of lead compounds for novel hypnotics.

Isolupalbigenin shows promising cytotoxic effects toward HL-60 cells (IC50 4.3 ± 0.7 to 18.0 ± 1.7 uM), it also shows in vitro inhibitory activity toward human glyoxalase I. Isolupalbigenin shows two different antibacterial activities against MRSA: direct growth inhibition and intensification of methicillin sensitivity, it could lead to the development of compounds for new approaches against MRSA infection.

Jacoumaric acid is a lead molecule from the library or database of natural compounds as a HIV-1 protease inhibitor.

Trichosanatine and squamosamide, as potential candidates as lead compounds for further study in drug development process with the PP2A- α protein. Trichosanatine can alleviate oxidized low-density lipoprotein induced endothelial cells injury via inhibiting the LOX-1 p38 MAPK pathway.