sars-cov mpro-in-1

MProinhibitor 11b is an inhibitor of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) main protease (MPro; IC50= 0.04 μM in a TR-FRET assay).1It reduces viral yield in the culture supernatant of SARS-CoV-2-infected Vero E6 cells (EC50= 0.72 μM). MProinhibitor 11b also reduces viral RNA copy numbers in the same model when used at concentrations ranging from 1.85 to 50 μM. 1.Dai, W., Zhang, B., Jiang, X.-M., et al.Structure-based design of antiviral drug candidates targeting the SARS-CoV-2 main proteaseScience368(6497)1331-1335(2020)

SARS-CoV-2 Mpro-IN-9 (SARS-CoV-2 Mpro IN 9) 是一种高效的 SARS-CoV-2 Mpro 抑制剂，IC50 值为 80 nM。SARS-CoV-2 Mpro-IN-9 具有抗病毒活性，抑制3C样半胱氨酸蛋白酶，可用于研究病毒感染。

SARS-CoV-2-IN-1 is a potent inhibitor of Mpro(SARS-CoV-2 Mpro, SARS-CoV Mpro and MERS-CoV Mpro with IC50s of 0.67, 0.90 and 0.58 μM, respectively).

SARS-CoV-2 Mpro-IN-32 (Compound 1) 为一种针对SARS-CoV-2 MPro的选择性抑制剂，具有230 nM的IC50值。此化合物还可有效抑制体外环境中多种SARS-CoV-2变异株的复制。

SARS-CoV-2 Mpro-IN-37 (compound 8r) 是一类抑制 SARS-CoV-2 主蛋白酶 (Mpro) 的物质，其IC50值为 0.0199 μM。对于 SARS-CoV-1 Mpro 和 MERS-CoV Mpro，其IC50值分别为 0.00945 μM 和 0.111 μM。在纳摩尔浓度范围内，SARS-CoV-2 Mpro-IN-37 展示了显著的抗病毒活性，并且不具细胞毒性。

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.

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）。

Mpro PLpro-IN-1 (Compound 29) 是一种双重作用的 SARS-CoV-2 蛋白酶抑制剂。Mpro PLpro-IN-1 也是一种 Mpro PLpro 的有效抑制剂，对 M pro 具有微摩尔抑制作用（IC50:1.72 μM），对 PL pro 具有亚微摩尔抑制作用（IC50:0.67 μM）。

SP inhibitor 1 是体外无毒浓度 (0.3250<5.98 μM) 的 SARS-CoV-2 复制抑制剂。SP inhibitor 1 是 SARS-CoV-2 刺突蛋白 (SP) 的选择性抑制剂，能够作用于 SP 蛋白 (IC50: 3.26 μM)、Mpro 蛋白 (IC50>25 μM)和 PLpro 蛋白 (IC50>25 μM)，具有细胞抗病毒作用。

SARS-CoV-2 MERS Mpro-IN-1 是一种有效的SARS-CoV-2和MERS 主要蛋白酶抑制剂，IC50值分别为 0.10、0.06 µM。

(±)-Alliin是一种是半胱氨酸的衍生物和新鲜大蒜的天然成分，能够被alliinase转化为allicin。

TKB245为SARS-CoV-2 Mpro的高效抑制剂，能有效抑制VeroE6细胞内SARS-CoV-2的复制。

SARS-CoV-2-IN-50 (Compound X77C)为针对SARS-CoV-2主要蛋白酶 (MPro) 的抑制剂，其与MPro的催化位点展现出高度亲和力。