65 Results for "

virtual

" in MedChemExpress (MCE) Product Catalog:
Products (65)

65 Results for "virtual" in MCE Product Catalog:

2
2 Cited Publications
Cat. No.: HY-N8599
CAS No.: 531-58-8
Cichoriin is an orally active coumarin glycoside with broad biological activities. Cichoriin exhibits inhibitory activities against α-amylase, α-glucosidase, pancreatic lipase and DPP-IV, with IC50 values of 5.76, 2.94, 16.83 and 9.16 μg/mL, respectively. Cichoriin significantly improves metabolic dysfunction-associated steatohepatitis (MASH) in mice by activating the AMPK signaling pathway. Cichoriin upregulates PPAR-γ in adipose tissue and alleviates obesity and associated cardiorenal injury in rats. Cichoriin blocks monosodium urate crystal-induced activation of the NLRP3 inflammasome and cell pyroptosis by inhibiting P2Y14R (IC50 = 8.47 nM). In silico virtual screening reveals that Cichoriin has a strong binding affinity for SARS-CoV-2 .
1
1 Cited Publications
Cat. No.: HY-N6841
CAS No.: 86831-53-0
Rhodiolin, a flavonoid, is an orally active glucose 6-phosphate isomerase (GPI) inhibitor. Rhodiolin inhibits papillary thyroid cancer (PTC) by targeting glycolysis enzyme glucose 6-phosphate isomerase GPI and suppressing PI3K/AKT/mTOR phosphorylation and induce apoptosis. Rhodiolin as a NS2B-NS3 protease inhibitor can disrupt dengue viral replication. Rhodiolin is also a potential candidate for developing anticancer strategies inhibiting CK1ε kinase. Rhodiolin can be used for the study of anti-tumor and anti-viral .
1
1 Cited Publications
Cat. No.: HY-117002
CAS No.: 1030769-75-5
Purity:  98.92%
Target:  

Wnt

Research Areas:  

Cancer

SRI 37892 is a small molecule compound inhibitor of Frizzled protein 7 (Fzd7) with inhibitory activity against cancer cell proliferation (IC50=2μM). SRI 37892 significantly blocks Wnt/Fzd7 signaling. SRI 3789 can be used in the research of developing cancer therapeutic agents .
Cat. No.: HY-153021
CAS No.: 326879-46-3
Purity:  ≥98.0%
Target:  

Parasite

Research Areas:  

Infection

NMT-IN-1 is a Trypanosoma brucei N-myristoyltransferase (TbNMT) inhibitor, with an IC50 of 31 μM against TbNMT and an IC50 of 66 μM against hNMT. As a thiazolidinone hit compound identified via virtual screening, NMT-IN-1 exerts enzymatic inhibitory effects by binding to the active site of TbNMT. NMT-IN-1 adopts a binding mode distinct from that of pyrazole sulfonamide inhibitors and can inhibit the myristoyl transfer reaction catalyzed by TbNMT. NMT-IN-1 is mainly used in the research of anti-parasitic lead compounds for human African trypanosomiasis (African sleeping sickness). It provides a structural basis for the subsequent optimization of TbNMT inhibitors with high activity, high selectivity and blood-brain barrier permeability .
Cat. No.: HY-137409
CAS No.: 52299-14-6
Target:  

Peptides

Research Areas:  

Others

Suc-AAA-pNA is a hydrolyzable peptide substrate. Suc-AAA-pNA serves as a chromogenic substrate for porcine pancreatic elastase, and undergoes hydrolysis via a virtual transition state with a minor physical step and a dominant chemical step, thereby forming a stable reactant state .
Cat. No.: HY-149526
CAS No.: 858770-07-7
Purity:  98.29%
cGAS-IN-1 (Compound C20) is a cyclic GMP-AMP synthase (cGAS) inhibitor with IC50s of 2.28 μM (human cGAS, h-cGAS FL) and 1.44 μM (mouse cGAS, m-cGAS CD). cGAS-IN-1 can be used for the studies of autoimmune diseases and chronic inflammation .
Cat. No.: HY-151358
CAS No.: 2986220-46-4
Target:  

E1/E2/E3 Enzyme

Research Areas:  

Cancer

SENP2-IN-1 (compound 77) is a selective SENP2 inhibitor. SENP2-IN-1 shows inhibitory activities with IC50s of 1.3, 0.69 and 22.7 μM for SENP1, SENP2 and SENP5, respectively. SENP2-IN-1 can be used for the research of cancer .
Cat. No.: HY-146356
CAS No.: 2414908-52-2
Purity:  99.30%
Target:  

Adenylate Cyclase

Research Areas:  

Inflammation/Immunology

Adenylyl cyclase type 2 agonist-1 (Compound 73) is a potent agonist of adenylyl cyclase type 2 (AC2) with the EC50 of 90 nM. Adenylyl cyclase type 2 agonist-1 inhibits expression of Interleukin-6, making it a potential lead compound against respiratory diseases .
Cat. No.: HY-139144
CAS No.: 812647-88-4
Target:  

Sirtuin HSP

Research Areas:  

Neurological Disease Cancer

YM-08 (Compounds 7a) is a brain-penetrant inhibitors of SIRT2,with the IC50 of 19.9 μM. YM-08 also is inhibitor of Hsp70 .
Cat. No.: HY-162520
CAS No.: 797780-71-3
Target:  

Wnt

Research Areas:  

Cancer

DJ-1-IN-1 (compound 797780-71-3) is a DJ-1 inhibitor. DJ-1-IN-1 exhibits antiproliferative activity in ACHN cells with an IC50 value of 12.18 μM and can inhibit the Wnt signaling pathway. DJ-1-IN-1 can be used in cancer research .
Cat. No.: HY-145860
Research Areas:  

Cancer

PHGDH-IN-2 is a potent and NAD + competitive PHGDH inhibitor with an IC50 of 5.2 µM. PHGDH-IN-2 inhibits the serine synthetic pathway in MDA-MB-468 cells. PHGDH-IN-2 inhibits the growth of PHGDH-dependent cancer cells .
Cat. No.: HY-152197
CAS No.: 938893-79-9
Target:  

PARP

Research Areas:  

Cancer

Tankyrase-IN-3 is a tankyrase 1 (TNKS1) inhibitor with an IC50 value of 22 nM. Tankyrase-IN-3 can be used for the research of cancer .
Cat. No.: HY-176734
Research Areas:  

Cancer

CZL-S092 is a PLK4 inhibitor with an IC50 value of 0.9 nM and excellent selectivity over other PLK4 family members (PLK1, PLK2, and PLK3). CZL-S092 exhibits anti-neuroblastoma activity in vitro (IMR-32 cells, IC50 = 1.143 μM). CZL-S092 inhibits cell migration and halts the cell cycle and induces apoptosis. CZL-S092 can be used in studies of various cancers including neuroblastoma cancer .
Cat. No.: HY-178098
Target:  

YAP

Research Areas:  

Cancer

TEAD-IN-21 is a potent and orally active pan-TEAD inhibitor with an IC50 of 3 nM. TEAD-IN-21 effectively inhibited the proliferation of Huh-7 cells. TEAD-IN-21 selectively downregulates TEAD-dependent downstream genes. TEAD-IN-21 achieves tumor regression in a liver cancer-derived tumor xenograft mice model. TEAD-IN-21 can be used in the research of hepatocellular carcinoma (HCC) .
Cat. No.: HY-175821
CAS No.: 892570-48-8
Research Areas:  

Cancer

PRMT1-IN-3 is a potent protein arginine methyltransferase 1 (PRMT1) inhibitor with an IC50 of 4.11 μM. PRMT1-IN-3 inhibits PRMT6 and PRMT8 with IC50s of 23.3 and 30.1 μM. PRMT1-IN-3 suppresses asymmetric dimethylarginine (ADMA) levels and histone H4R3me2a modification in triple-negative breast cancer (TNBC) cells. PRMT1-IN-3 induces cell cycle arrest, apoptosis, and inhibits migration and colony formation in MDA-MB-231 cells. PRMT1-IN-3 acts as chemotherapeutic sensitizers for Paclitaxel (HY-B0015). PRMT1-IN-3 can be used for the study of TNBC .
Cat. No.: HY-W783415
CAS No.: 1424357-72-1
Target:  

FAK

Research Areas:  

Cancer

STARD3-IN-1 (Compound VS1) is a STARD3 inhibitor with an IC₅₀ of 35 μM. STARD3 is a protein that is overexpressed in various cancers and is involved in cholesterol transport. STARD3-IN-1 exhibits anti-proliferative activity in breast cancer and colon cancer cells, significantly weakening the clonogenic ability of cancer cells. STARD3-IN-1 increases the protein levels of FAK and pTyr397-FAK. STARD3-IN-1 can be used for research on breast cancer and colon cancer .
Cat. No.: HY-180895
CAS No.: 667404-66-2
Research Areas:  

Cancer

Y207–5465 is a potent and highly selective PLK2 inhibitor with an IC50 value of 584.3 nM. Y207–5465 shows only limited anti-cancer activity in HT-29 and HCT-116 cells. Y207–5465 can be used in cancer research .
Cat. No.: HY-147036
CAS No.: 825647-78-7
Target:  

Orthopoxvirus

Research Areas:  

Infection

TTP-6171 is a non-covalent inhibitor of Monkeypox virus I7L protease, and it can be used for research on poxvirus infections .
Cat. No.: HY-163884
Target:  

Cytochrome P450

Research Areas:  

Cancer

BDE33872639 shows stable binding interactions with the aromatase enzyme and identifies as a non-blocker, demonstrating a reduced risk of adversecardiac effects in virtual screening .
Cat. No.: HY-123438
CAS No.: 206551-25-9
Target:  

MMP

Research Areas:  

Others

WAY-151693, sulfonamide derivative of a hydroxamic acid, acts as a potent inhibitor of MMP13 in virtual screening .