SARS-CoV-IN-3

SARS-CoV-IN-3 is an effective SARS-CoV replication inhibitor.

Arbidol (Umifenovir) 是一种具有口服活性广谱抗病毒化合物，属于融合抑制剂，可与 SARS-CoV-2 刺突蛋白相互作用。Arbidol 对多种冠状病毒显示出抑制活性。Arbidol 具有抗炎抗氧化活性，可用于研究浓度感染。

EIDD-1931 (Beta-d-N4-hydroxycytidine) 是一种核苷类抗病毒试剂 ，可抑制丙型肝炎病毒、基孔肯亚病毒和委内瑞拉马脑炎病毒的复制活性。

SARS-CoV-2-IN-14 是一种有效的、可口服的 SARS-CoV-2 抑制剂（IC50 ：0.39 μM），是一种氯硝柳胺类似物。SARS-CoV-2-IN-14在人血浆和肝 S9 酶测定中比氯硝柳胺稳定性更强。SARS-CoV-2-IN-14以口服的方式给药可以提高其生物利用度和半衰期。

CathepsinL-IN-5 (D6-3) 为一种高效的Cathepsin L(CatL) 抑制剂，具体IC50为 0.27 nM。该化合物能够有效阻止CatL活性，同时通过阻断刺突蛋白的切割，显著抑制SARS-CoV-2假病毒的细胞内入侵。此外，CathepsinL-IN-5也适用于感染性疾病的研究。

3CLPro-IN-3 (Compound A36) 是一种针对 SARS-CoV-2 3CLpro 的抑制剂，其 IC50 为 51.3 nM。3CLPro-IN-3 对人冠状病毒 229E、OC43 及鼠冠状病毒 MHV 展现出抗病毒活性。

9-AMN是SARS-CoV-2木瓜蛋白酶样蛋白酶（SARS-CoV-2 PLpro）的抑制剂，能够抑制其去泛素化（DUB）活性和蛋白酶活性，IC50为4.55 µM和4.15 µM。9-AMN还可以在Calu-3细胞中抑制SARS-CoV变体Delta和Omicron的复制，IC50分别为1.04 µM和2.35 µM。

Mpro inhibitor N3 hemihydrate is a potent inhibitor of SARS-CoV-2 Mpro with an EC50 of 16.77 μM for SARS-CoV-2. Mpro inhibitor N3 hemihydrate specifically inhibits Mpro from multiple coronaviruses, including SARS-CoV and MERS-CoV. Mpro inhibitor N3 hemihydrate displays inhibition against HCoV-229E, FIPV, and MHV-A59 with individual IC50 of 4.0 μM, 8.8 μM, and 2.7 μM, respectively[1][2]. Mpro inhibitor N3 hemihydrate (0-0.64 μM) is able to penetrate cells to inhibit the replication of IBV viruses, probably at the beginning of infection in embryos[3]. [1]. Jin Z, et al. Structure of Mpro from SARS-CoV-2 and discovery of its inhibitors. Nature. 2020;582(7811):289-293.[2]. Yang H, et al. Design of wide-spectrum inhibitors targeting coronavirus main proteases [published correction appears in PLoS Biol. 2005 Nov;3(11):e428]. PLoS Biol. 2005;3(10):e324.[3]. Wang F, et al. Structure of Main Protease from Human Coronavirus NL63: Insights for Wide Spectrum Anti-Coronavirus Drug Design. Sci Rep. 2016;6:22677. Published 2016 Mar 7.

Ribavirin-13C5is intended for use as an internal standard for the quantification of ribavirin by GC- or LC-MS. Ribavirin is an antiviral guanosine nucleoside analog.1,2Upon entry into cells, ribavirin is metabolized to an active triphosphate form that induces viral RNA chain termination and inhibits viral polymerases. It reduces replication in a panel of seven RNA and four DNA viruses in Vero cells (EC50s = 2-95 μg/ml).3Ribavirin also reduces replication of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) in Vero cells (EC50= 109.5 μM).4Aerosol administration of ribavirin (30 mg/kg) reduces mortality in a mouse model of influenza A infection.5Formulations containing ribavirin have been used in the treatment of respiratory syncytial virus (RSV), hepatitis C virus (HCV), and viral hemorrhagic fevers. 1.Gilbert, B.E., and Knight, V.Biochemistry and clinical applications of ribavirinAntimicrob. Agents Chemother.30(2)201-205(1986) 2.Gordon, C.J., Tchesnokov, E.P., Woolner, E., et al.Remdesivir is a direct-acting antiviral that inhibits RNA-dependent RNA polymerase from severe acute respiratory syndrome coronavirus 2 with high potencyJ. Biol. Chem.295(20)6785-6797(2020) 3.Kirsi, J.J., North, J.A., McKernan, P.A., et al.Broad-spectrum antiviral activity of 2-β-D-ribofuranosylselenazole-4-carboxamide, a new antiviral agentAntimicrob. Agents Chemother.24(3)353-361(1983) 4.Wang, M., Cao, R., Zhang, L., et al.Remdesivir and chloroquine effectively inhibit the recently emerged novel coronavirus (2019-nCoV) in vitroCell Res.30(3)269-271(2020) 5.Wilson, S.Z., Knight, V., Wyde, P.R., et al.Amantadine and ribavirin aerosol treatment of influenza A and B infection in miceAntimicrob. Agents Chemother.17(4)642-648(1980)

CCF0058981 (CCF981) 是3-氯苯基类似物，是一种非共价 SARS-CoV-2 3CLpro(SC2)抑制剂，IC50为 68 nM。CCF0058981 抑制 SC1 (SARS-CoV-1 3CLpro)，IC50为 19 nM。CCF0058981 具有抗病毒功效，具有用于 COVID-19 研究的潜力。

SARS-CoV-2 Mpro-IN-1 (化合物 16b-3) 是SARS-CoV-2主要蛋白酶 (Mpro) 的选择性不可逆抑制剂（IC50 = 116 nM）。

SARS-CoV-2 nsp13-IN-3 (Compound C3) 是一种 SARS-CoV-2 非结构蛋白 13（nsp13）小分子抑制剂，能够作用于 nsp13 ssDNA+ATPase (IC50: 32 μM)。

3CPLro-IN-1 (compound A17) 是一种有效的、口服具有活力的 SARS-CoV-2 3CLpro 抑制剂 (IC50: 5.65 μM)。3-糜蛋白酶样半胱氨酸蛋白酶 (3CLpro) 是一种病毒复制中不可或缺的蛋白质，是一种有吸引力的、对抗 COVID-19 的药物靶点。

SARS-CoV-2 nsp14-IN-1 (Compound 3) 是一种典型的 SARS-CoV-2Nsp14 Mtase 双底物抑制剂 (IC50: 0.061 μM)。SARS-CoV-2 nsp14-IN-1 对人类甲基转移酶表现出良好的选择性，可拮抗 10 种人甲基转移酶（如组蛋白赖氨酸、蛋白精氨酸、DNA 和 RNA 等）。

SARS-CoV-2 3CLpro-IN-3 是 SARS CoV-2 3CLpro 抑制剂，表现出抗病毒（antiviral）、抗细菌（antibacterial）、抗真菌（antifungal）效果。

SARS-CoV-2-IN-33 是 COVID-19 抑制剂。ARS-CoV-2-IN-3 对 COVID-19 主要蛋白酶 (Mpro) (PDB ID：6LU7) 表现出较好的结合亲和力 (-8.0 Kcal mole)。SARS-CoV-2-IN-33 对癌细胞表现出较好的抗增殖效果。SSARS-CoV-2-IN-33 能够用于研究癌症和 COVID-19。

3CPLro-IN-2 是有效的、口服具有活力的 SARS-CoV-2 3CLpro 抑制剂 (IC50: 1.55 μM, Ki: 6.09 μM)。3-糜蛋白酶样半胱氨酸蛋白酶 (3CLpro) 是病毒复制中不可或缺的蛋白质，是有潜力的对抗 COVID-19 的药物靶点。

Camostat, also known as FOY 305, is a serine protease inhibitor. Camostat is used in the treatment of some forms of cancer and is also effective against some viral infections, as well as inhibiting fibrosis in liver or kidney disease or pancreatitis. It is an inhibitor of the enzyme transmembrane protease, serine 2 (TMPRSS2). Inhibition of TMPRSS2 partially blocked infection by SARS-CoV and Human coronavirus NL63 in HeLa cell cultures. In vitro study showed that camostat significantly reduces the infection of Calu-3 lung cells by SARS-CoV-2, the virus responsible for COVID-19.

SARS-CoV-2 Mpro-IN-6为共价、不可逆及选择性抑制剂，主要针对SARS-CoV-2 Mpro，IC50值为0.18 μM。该化合物对人组织蛋白酶B、F、K、L以及半胱天冬酶3无抑制作用。

Hydroxychloroquine Impurity E, Hydroxychloroquine的一种杂质，属于合成抗疟疾剂，能抑制Toll样受体7 9 (TLR7 9) 信号传递，且对抗SARS-CoV-2感染有效。

Hydroxychloroquine Impurity F为Hydroxychloroquine的一种杂质，后者为合成抗疟疾剂，能抑制Toll样受体7 9（TLR7 9）信号传导，并有效抑制SARS-CoV-2感染。

Imatinib Impurity E 是 Imatinib 的杂质。Imatinib 是一种口服生物可用的酪氨酸激酶抑制剂，可选择性抑制 BCR ABL，v-Abl，PDGFR，c-kit 激酶活性。Imatinib (STI571) 靠近 ATP 结合位点结合，将其锁定在封闭或自我抑制的构象中，因此半竞争性抑制蛋白质的酶活性。Imatinib 还抑制 SARS-CoV 和MERS-CoV。

Desmethylazelastine是Azelastine经由细胞色素P450酶系统的氧化代谢形成的主要活性代谢物，具有97%的蛋白结合率和54小时的消除半衰期。Azelastine作为一种口服活性的组胺H1受体拮抗剂，特点是选择性高和亲和力强。它主要用于治疗过敏性鼻炎、哮喘、糖尿病高脂血症以及用于SARS-CoV-2的研究。

SARS-CoV-2 nsp14-IN-3 (4975)为一种针对SARS-CoV-2 Nsp14 N7-甲基转移酶的抑制剂，具有IC50值为7 μM。