sars cov mpro in 1

SARS-CoV-2 Mpro ligand 1 is a ligand for the target protein PROTAC. It is utilized in the synthesis of [BP-198].

SARS-CoV-2 Mpro-IN-1 (compound 16b-3) is a potent, selective, and irreversible inhibitor of the SARS-CoV-2 main protease (Mpro) with an IC50 value of 116 nM [1].

SARS-CoV-2/MERS Mpro-IN-1 is a potent inhibitor of the main proteases in SARS-CoV-2 and MERS, with IC50 values of 0.10 and 0.06 µM, respectively.

PROTACSARS-CoV-2 Mpro degrader-1 (compound 5) is a PROTAC degrader targeted at the main protease of SARS-CoV-2, exhibiting broad-spectrum antiviral activity.

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 (compound c7), a nonpeptidic, noncovalent inhibitor of SARS-CoV-2 main protease (Mpro), exhibits potent inhibitory action (IC50 = 0.085 μM) and improved physicochemical and drug metabolism and pharmacokinetics (DMPK) properties. It effectively suppresses viral replication in SARS-CoV-2-infected Vero E6 cells (EC50 = 1.10 μM) and demonstrates low cytotoxicity (CC50 > 50 μM) [1].

SARS-CoV-2-IN-1 is a potent inhibitor of Mpro [SARS-CoV-2 Mpro, SARS-CoV Mpro, and MERS-CoV Mpro] with IC50 values of 0.67, 0.90, and 0.58 μM, respectively.

SARS-CoV-2 Mpro-IN-32 (Compound 1) is a selective inhibitor of SARS-CoV-2 MPro with an IC50 value of 230 nM. In vitro, it also inhibits the replication of various SARS-CoV-2 variants.

SARS-CoV-2 Mpro-IN-37 (compound 8r) is an inhibitor of the SARS-CoV-2 main protease (Mpro), with an IC50 value of 0.0199 μM. It exhibits IC50 values of 0.00945 μM against SARS-CoV-1 Mpro and 0.111 μM against MERS-CoV Mpro. SARS-CoV-2 Mpro-IN-37 demonstrates potent antiviral activity in the nanomolar range without showing cytotoxicity.

SARS-CoV-2 Mpro-IN-41 (Compound 7e) is an orally active inhibitor targeting COX-2 and SARS-CoV-2 Mpro, with respective IC50 values of 9.66 μM and 13.24 μM. It also demonstrates inhibitory activity against COX-1 (IC50: 46.11 μM). This compound significantly suppresses the expression of inflammation-related cytokines such as TNF-α, IL-6, and IL-1β, exhibiting anti-inflammatory properties. By selectively inhibiting COX-2 and SARS-CoV-2 Mpro, SARS-CoV-2 Mpro-IN-41 exerts both anti-inflammatory and antiviral effects, making it a potential candidate for research in inflammation and COVID-19 treatment.

SARS-CoV-2 Mpro-IN-43 (Compound 1) is an inhibitor of the coronavirus main protease (Mpro) with an IC50 of 72 μM. It exerts its antiviral effects by interacting non-covalently with the key residues at the Mpro active site. This compound exhibits moderate to low cytotoxicity with CC50 values of 13.24, 41.02, and 42.26 µM in HaCaT, HEK293T, and HepG2 cells, respectively. SARS-CoV-2 Mpro-IN-43 is applicable for SARS-CoV-2 research.

Mpro/Cathepsin L-IN-1 (Compound 4d) is an inhibitor of SARS-CoV-2 Mpro and hCatL, with Ki values of 5.54 μM and 0.701 μM, respectively.

DNDI-6510 (Compound (S)-x38) is a non-covalent inhibitor of SARS-CoV-2 MPro with an IC50 of 0.04 μM. It exhibits strong antiviral activity against SARS-CoV-2 and its variants, but shows weaker efficacy against SARS-CoV-1. DNDI-6510 significantly enhances drug exposure in a metabolically humanized mouse model (8HUM).

Mpro/Cathepsin L-IN-2 (Compound 1) is an irreversible dual inhibitor targeting the main protease of SARS-CoV-2 (Mpro, pIC50=8.61) and human cathepsin L (hCTSL, pIC50=7.64). Mpro/Cathepsin L-IN-2 shows potential for use in research related to COVID-19 and other coronavirus infections.

BACE-1/Mpro-IN-1 is a compound capable of penetrating the blood-brain barrier, acting as a dual inhibitor for BACE-1 (IC50 = 0.26 μM) and SARS-CoV-2 Mpro (IC50 = 0.91 μM). It functions as a mixed inhibitor by binding to aspartic and cysteine proteases and demonstrates optimal docking scores alongside robust interaction characteristics. BACE-1/Mpro-IN-1 is applicable in research focusing on COVID-19-related neuroinflammation and Alzheimer’s disease.

SARS-CoV-2 Mpro-IN-50 (Compound 30) is a non-covalent inhibitor of SARS-CoV-2 Mpro with an IC50 of 14 nM. This compound also serves as a pan-coronavirus Mpro inhibitor, showing IC50 values ranging from 20 to 190 nM against SARS-CoV-1 Mpro, 229E Mpro, HKU1 Mpro, MERS Mpro, NL63 Mpro, and OC43 Mpro. It exhibits significant antiviral activity against the SARS-CoV-2 omicron variant (EC50: 22 nM). SARS-CoV-2 Mpro-IN-50 is useful for coronavirus infection research.

SARS-CoV-2 Mpro-IN-48 is a potent inhibitor of the main protease of SARS-CoV-2, with an IC50 value of 21.1 nM. It exhibits strong antiviral activity against the SARS-CoV-2 JN.1 variant. SARS-CoV-2 Mpro-IN-48 can be utilized in research related to infections, such as COVID-19.

Mpro/RdRp-IN-1 (Compound 1) is a dual-target inhibitor effective against SARS-CoV-2, targeting RdRp with an EC50 of 25.45 μM and Mpro with an IC50 of 125.4 μM. It exhibits an EC50 of 4.79 μM against HCoV-OC43 with a selectivity index (SI) of 10.89. Mpro/RdRp-IN-1 is used in SARS-CoV-2 infection research.

Mpro inhibitor N3 hemihydrate is a potent antagonist of the SARS-CoV-2 main protease (Mpro), with an EC50 of 16.77 μM against SARS-CoV-2. It specifically inhibits Mpro in various coronaviruses, including SARS-CoV, MERS-CoV, HCoV-229E (IC50 4.0 μM), FIPV (IC50 8.8 μM), and MHV-A59 (IC50 2.7 μM) [1][2].

Mpro/PLpro-IN-1 (Compound 29) is a dual-acting inhibitor of SARS-CoV-2 protease, displaying micromolar inhibition of Mpro (IC50: 1.72 μM) and submicromolar inhibition of PLpro (IC50: 0.67 μM).

SP inhibitor 1 is an inhibitor of SARS-CoV-2 replication at non-toxic concentrations (0.3250<5.98 μM) in vitro. SP inhibitor 1 is a selective inhibitor of SARS-CoV-2 stinger protein (SP), acting on SP protein (IC50: 3.26 μM), Mpro protein (IC50>25 μM) and PLpro protein (IC50>25 μM), and has cellular antiviral effects. and PLpro protein (IC50>25 μM), and has cellular antiviral effects.

(±)-Alliin is a derivative of cysteine and a natural component of fresh garlic that can be converted into allicin by alliinase.

TKB245 is a potent inhibitor of the SARS-CoV-2 main protease (Mpro), effectively inhibiting viral replication in VeroE6 cells [1].

SARS-CoV-2-IN-50 (Compound X77C) is a potent inhibitor of the SARS-CoV-2 main protease (M^pro), demonstrating high affinity for the enzyme's catalytic site [1].