drug-drug interactions

Mitotane (NCI-C04933) 是 DDD 的同分异构体和 DDT 的衍生物，可作用于肾上腺皮质癌，有抗癌活性。

Pitavastatin calcium (NK-104) 是一种羟甲基戊二酰-CoA 还原酶抑制剂。它在 HepG2 细胞中抑制乙酸合成胆固醇的IC50为 5.8 nM。它是高效的肝细胞低密度脂蛋白胆固醇受体诱导剂。具有抗癌活性。

SJPUT-328 是一种PXR (Pregnane X receptor)激动剂，该受体在药物代谢及药物之间的相互作用方面发挥关键作用。

(E)-2,6-Di-tert-butyl-4-(4-(diethylamino)styryl)pyrylium TFA (Compound 4a) 是一种革兰氏阴性外膜渗透剂，通过靶向 LptA 中的 Met47 来阻断 LptA LptC 的相互作用，显示出协同抗菌效果。(E)-2,6-Di-tert-butyl-4-(4-(diethylamino)styryl)pyrylium (trifluoromethanesulfonate) 能增强 pol B 对野生型和 MDR A. baumannii 及 E. coli 菌株的活性，可作为耐多药革兰氏阴性菌感染的抗生素辅助剂。

5-Benzyloxygramine 是一种 N 蛋白、蛋白互作的原位稳定剂，具有抗病毒和稳定 N-NTD 蛋白的作用。它能够阻断多巴胺受体，可拮抗 5-HT 对大鼠子宫和兔耳的作用。

N-hydroxy Riluzole is a metabolite of the antiglutamatergic agent riluzole .1It is formed from riluzole predominantly by the cytochrome P450 (CYP) isoform CYP1A2 in human hepatic microsomes. 1.Sanderink, G.J., Bournique, B., Stevens, J., et al.Involvement of human CYP1A isoenzymes in the metabolism and drug interactions of riluzole in vitroJ. Pharmacol. Exp. Ther.282(3)1465-1472(1997)

Imidafenacin metabolite M4 is a metabolite of the muscarinic acetylcholine receptor antagonist imidafenacin.1It is formed from imidafenacin by the cytochrome P450 (CYP) isoform CYP3A4. 1.Kanayama, N., Kanari, C., Masuda, Y., et al.Drug-drug interactions in the metabolism of imidafenacin: Role of the human cytochrome P450 enzymes and UDP-glucuronic acid transferases, and potential of imidafenacin to inhibit human cytochrome P450 enzymesXenobiotica37(2)139-154(2007)

Dolutegravir O-β-D-glucuronide is a metabolite of the HIV integrase inhibitor dolutegravir .1It is formed from dolutegravir primarily by the UDP-glucuronosyltransferase (UGT) isoform UGT1A1in vivobut is also metabolized by UGT1A9 in human liver and kidney microsomes and UGT1A3 in human intestinal microsomes.2,1 1.Liu, S.N., Lu, J.B., Watson, C.J.W., et al.Mechanistic assessment of extrahepatic contributions to glucuronidation of integrase strand transfer inhibitorsDrug Metab. Dispos.47(5)535-544(2019) 2.Reese, M.J., Savina, P.M., Generaux, G.T., et al.In vitro investigations into the roles of drug transporters and metabolizing enzymes in the disposition and drug interactions of dolutegravir, a HIV integrase inhibitorDrug Metab. Dispos.41(2)353-361(2013)

6'7'-Epoxybergamottin is a furanocoumarin found in grapefruit. It is a potent inhibitor of the cytochrome P450 (CYP) isoform CYP3A4 with an IC50 value of 0.30 ppm in a cell-free assay, 0.33 μM in HL7 human liver cells, and 0.22 μM in S9 human intestine cells. It has been studied in the context of drug interactions with grapefruit constituents. It is found in grapefruit juice at concentrations of 0.1-7.4 μM and inhibits the transport of talinolol , a permeability glycoprotein (P-gp/ABCB1) transporter substrate, across Caco-2 cell monolayers (IC50 = 0.7 μM). 6'7'-Epoxybergamottin also has insecticidal properties with a concentration of 5 μg/cm2 leading to 100% mortality of adult olive fruit flies.

Isosilybin (Isosilibinin) 是一种类黄酮，来源于乳蓟；能够抑制CYP3A4诱导(IC50:74 μM)。

Ga(III)protoporphyrin-IX, a model for interporphyrin interactions in malaria pigment, possesses potent antibacterial effects against gram-negative, gram-positive, and acid-fast bacteria. It exhibits high solubility in methanol (MeOH) and serves as a malarial pigment analogue for drug development, as well as a potential antibacterial agent.

Tetradecanedioic acid (Tetradecanedicarboxylate) 是一种长链脂肪酸，属于内源性代谢物的一种。它能够作为有机阴离子转运多肽介导的药物-药物相互作用的候选生物标志物。

Epiberberine 是一种从黄连中得到的生物碱，是AChE 和BChE 抑制剂，和非竞争性BACE1抑制剂。在 3T3-L1 细胞分化早期，它能够下调 Raf MEK1 2 ERK1 2 和 AMPKα Akt 信号通路。它具有抗氧化作用，能够清除 ONOO-，可用于阿尔滋海默症和糖尿病的研究。

5-HT7 receptor ligand 1 (Compound 5c) is a potent ligand for the 5-HT7 receptor, with a K i value of 8 nM. The compound demonstrates non-hepatotoxic properties and displays moderate potential for drug-drug interactions with substrates of CYP3A4 or CYP2D6 enzymes [1].

LY3154885 是一种口服具有活力的多巴胺 D1 受体正变构调节剂 (PAM)。LY3154885 对药物-药物相互作用 (DDI) 的风险具有改善作用。

Coproporphyrin I dihydrochloride is an appropriate clinical biomarker to recapitulate drug-drug interactions mediated by OATP inhibition.

ARRY-403, also known as AMG-151, is an orally available allosteric glucokinase (GK) activator developed for the treatment of type 2 diabetes mellitus (T2DM). ARRY-403 has many favorable physicochemical characteristics and ADME properties (low potential to cause drug–drug interactions (DDIs). ARRY-403 potently activates human glucokinase (GK) in vitro (EC50 = 79 nM at 5 mM glucose), with an S0.5 = 0.93 mM glucose (ARRY-403 at 5 mM) and Vmax = 134% compared to the no activator control. It possesses good in vitro drug-like properties (aqueous solubility, cell permeability, low low potential for drug-drug interactions, low predicted hepatic clearance), and selectivity against broad panels of receptors and enzymes.

Trehalose C12 (α-D-Glucopyranosyl-α-D-glucopyranoside monododecanoate) 是一种非还原性二糖，因其两亲特性，被广泛用作乳化剂、表面活性剂、封装材料，并用于细胞过程和膜相互作用的生化研究。

Hexaethylene glycol monohexadecyl ether 是一种非离子表面活性剂，属于聚乙二醇（PEG）醚家族。其具有亲水头部和亲脂尾部，适用于多种用途。Hexaethylene glycol monohexadecyl ether 常用于膜蛋白研究，以溶解和稳定蛋白质，能够用于结构分析技术如 X 射线晶体学和电子显微镜。除此之外，它还广泛应用于其他工业和研究领域，如药物输送系统、纳米技术以及诊断分析。由于其独特的性质，能有效促进具有不同物理化学性质的分子之间的相互作用。

DDMAB，即双十二烷基二甲基溴化铵，是一种阳离子表面活性剂，广泛应用于各类工业和研究领域。作为季铵化合物之一，它拥有正电荷的头部和疏水的尾部，使其适合用作洗涤剂、乳化剂和抗菌剂。DDMAB 能破坏细胞膜，因此在微生物学中常用于选择性分离和鉴定细菌。纳米技术中也利用其来合成金属纳米粒子及其他材料。此外，DDMAB 具备与细胞膜相互作用及穿透能力，在药物递送、基因治疗及其他医学领域呈现出潜在应用价值。