8 Results for "

Dynamic simulation

" in MedChemExpress (MCE) Product Catalog:
Products (8)

8 Results for "Dynamic simulation" in MCE Product Catalog:

1
1 Cited Publications
Art. -Nr.: HY-N6841
CAS. Nr.: 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 .
loading...
    loading...
Art. -Nr.: HY-178954
CAS. Nr.: 2456309-77-4
Forschungsgebiete:  

Cancer

IDO1-IN-32 (Compound 45) is a potent and orally effective IDO1 inhibitor with an IC50 of 10 pM. IDO1-IN-32 exhibits significant anti-proliferative activity against Hela cells. IDO1-IN-32 can significantly inhibit tumor growth in CT26 and LCC transplanted mouse models by activating anti-tumor immunity. IDO1-IN-32 can be used for research on colon cancer and breast cancer .
loading...
    loading...
Art. -Nr.: HY-178941
DHODH-IN-32 (Compound A1) is a DHODH inhibitor. DHODH-IN-32 shows significant cytotoxicity against NCI-60 cell lines, especially being sensitive to breast cancer, prostate cancer and leukemia cell lines. DHODH-IN-32 can induce cell apoptosis by activating the Caspase pathway. DHODH-IN-32 causes G0/G1 phase cell cycle arrest and inhibits cellular metabolism by ROS. DHODH-IN-32 exhibits significant anti-tumor properties in mouse breast cancer models. DHODH-IN-32 can be used for the study of breast cancer .
loading...
    loading...
Art. -Nr.: HY-168189
Target:  

HIV

Forschungsgebiete:  

Infection

HIV-1 inhibitor-76 (compound 9t-2) is a non-nucleoside reverse transcriptase inhibitor of HIV-1. HIV-1 inhibitor-76 can be used in anti-HIV research .
loading...
    loading...
Art. -Nr.: HY-124987
CAS. Nr.: 2225834-49-9
Target:  

Endogenous Metabolite

Forschungsgebiete:  

Inflammation/Immunology

MRS4458 is a P2Y14 receptor antagonist with anti-inflammatory activity. MRS4458 mediates inflammatory activity by activating the motility of neutrophils. The design of MRS4458 is based on the interaction with the P2Y14 receptor and optimized by molecular dynamic simulation. MRS4458 performs well in terms of shape and complementarity with the receptor. The prediction that the 5-phenyl group of MRS4458 is substituted with thiophene is generally consistent with empirical results. The biological activity of MRS4458 was verified by fluorescence assay, showing its potent antagonistic effect .
loading...
    loading...
Art. -Nr.: HY-161463
CAS. Nr.: 3025006-64-5
Target:  

CDK

Forschungsgebiete:  

Cancer

CDK2-IN-28 (compound 22) is a CDK2 inhibitor with good selectivity and cellular effects against other CDKs. CDK2-IN-28 has anti-proliferative effects on MKN1 cells (EC50: 0.31 μM) .
loading...
    loading...
Art. -Nr.: HY-157090
Forschungsgebiete:  

Neurological Disease

AChE/MAO-B-IN-6 (compound 3a) is a dual inhibitor of AChE and h-MAO-B with potential to inhibit Alzheimer's disease .
loading...
    loading...
Art. -Nr.: HY-150286A
CAS. Nr.: 2715974-36-8
Target:  

Prion Protein

Forschungsgebiete:  

Infection

(R)-SM875 is a degrader targeting the intermediate folding form of prion protein (PrP). (R)-SM875 significantly reduces the PrP level, with an IC50 of 3 μM. (R)-SM875 can be used for the study of prion diseases .
loading...
    loading...