11687 Results for "

MM/PBSA binding free energy

" in MedChemExpress (MCE) Product Catalog:
Products (11687)

11687 Results for "MM/PBSA binding free energy" in MCE Product Catalog:

2102
2102 Publications Verification
Cat. No.: HY-K0010

MCE Protease Inhibitor Cocktail (EDTA-Free, 100× in DMSO) is a blend of 6 pan-protease inhibitors for protection of protein integrity.The 1 mL volume is defined as the base specification. All larger sizes correspond to incremental volumes of this base.

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644
644 Cited Publications
Cat. No.: HY-100523
CAS No.: 846557-71-9
Purity:  99.96%
ML385 is a potent and selective Nrf2 inhibitor with an IC50 of 1.9 μM. ML385 directly binds to the Neh1 domain of NRF2, interferes with the binding of the MAFG-NRF2 protein complex to the antioxidant response element (ARE) DNA sequence, thereby blocking the expression of downstream target genes of NRF2. ML385 can be used in studies related to adult T-cell leukemia, breast cancer, myocardial ischemia/reperfusion injury, non-small cell lung cancer, esophageal squamous cell carcinoma, head and neck squamous cell carcinoma, and lung squamous cell carcinoma .
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427
427 Cited Publications
Cat. No.: HY-12028
CAS No.: 167869-21-8
Purity:  98.89%
Research Areas:  

Cancer

PD98059 is a potent and selective MEK inhibitor with an IC50 of 5 µM. PD98059 binds to the inactive form of MEK, thereby preventing the activation of MEK1 (IC50 of 2-7 µM) and MEK2 (IC50 of 50 µM) by upstream kinases. PD98059 is a ERK1/2 signaling inhibitor. PD98059 is a ligand for the aryl hydrocarbon receptor (AHR), and suppresses TCDD binding (IC50 of 4 μM) and AHR transformation (IC50 of 1 μM). PD98059 also inhibits Mycobacterium bovis Bacillus CalmetteGuerin (BCG)-induced autophagy .
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387
387 Cited Publications
Cat. No.: HY-Y0320
CAS No.: 67-68-5
Synonyms: DMSO, meets analytical specification of Ch.P.
Dimethyl sulfoxide (DMSO), meets analytical specification of Ch.P. is an aprotic solvent that dissolves polar and non-polar compounds, including water-insoluble therapeutic and toxic agents. Dimethyl sulfoxide (DMSO) has a strong affinity for water and can rapidly penetrate or enhance the penetration of other substances into biological membranes. Dimethyl sulfoxide also has potential free radical scavenging and anticholinesterase effects and may affect coagulation activity. Dimethyl sulfoxide also induces histamine release from mast cells but is thought to have low systemic toxicity. Dimethyl sulfoxide also exhibits antifreeze and antibacterial properties .
MCE provides Dimethyl sulfoxide that complies with the inspection standards (Ch.P) of Part 4 of the Chinese Pharmacopoeia (2020 Edition). Amicrobic, low endotoxin, can be used in various biochemical experiments such as drug dissolution.
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322
322 Cited Publications
Cat. No.: HY-13818
CAS No.: 19983-44-9
Purity:  99.58%
Target:  

STAT Apoptosis

Research Areas:  

Inflammation/Immunology Cancer

Stattic is a potent STAT3 inhibitor and inhibits STAT3 phosphorylation (at Y705 and S727) . Stattic inhibits the binding of a high affinity phosphopeptide for the SH2 domain of STAT3 . Stattic ameliorates the renal dysfunction in Alport syndrome (AS) mice .
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280
280 Cited Publications
Cat. No.: HY-50856
CAS No.: 941678-49-5
Synonyms: INCB18424
Research Areas:  

Cancer

Ruxolitinib (INCB18424) is an orally active and selective JAK1/2 inhibitor with IC50s of 3.3 nM and 2.8 nM in cell-free assays, and has 130-fold selectivity for JAK1/2 over JAK3 . Ruxolitinib induces autophagy and kills tumor cells through toxic mitophagy .
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268
268 Cited Publications
Cat. No.: HY-P0175
CAS No.: 1236188-16-1
Synonyms: 740YPDGFR; PDGFR 740Y-P
Target:  

PI3K Autophagy

Research Areas:  

Cancer

740 Y-P (740YPDGFR; PDGFR 740Y-P) is a potent and cell-permeable PI3K activator. 740 Y-P readily binds GST fusion proteins containing both the N- and C- terminal SH2 domains of p85 but fails to bind GST alone .
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263
263 Cited Publications
Cat. No.: HY-K0011

MCE Protease Inhibitor Cocktail, mini-Tablet (EDTA-Free) is a blend of 5 pan-protease inhibitors for protection of protein integrity. The 25 pcs is defined as the base specification. All larger sizes correspond to incremental volumes of this base.

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178
178 Cited Publications
Cat. No.: HY-B2176
CAS No.: 56-65-5
Synonyms: Adenosine 5'-triphosphate
ATP (Adenosine 5'-triphosphate) is a central component of energy storage and metabolism in vivo. ATP provides the metabolic energy to drive metabolic pumps and serves as a coenzyme in cells. ATP is an important endogenous signaling molecule in immunity and inflammation. ATP can activate the NLRP3 inflammasome and induce IL-1β and chemokines secretion. ATP has anti-bacterial infection effects and can protect mice against bacterial infection in mice .
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178
178 Cited Publications
Cat. No.: HY-B2176B
CAS No.: 74804-12-9
Synonyms: Adenosine 5'-triphosphate dimagnesium
ATP (Adenosine 5'-triphosphate) dimagnesium is a central component of energy storage and metabolism in vivo. ATP dimagnesium provides the metabolic energy to drive metabolic pumps and serves as a coenzyme in cells. ATP dimagnesium is an important endogenous signaling molecule in immunity and inflammation. ATP dimagnesium can activate the NLRP3 inflammasome and induce IL-1β and chemokines secretion. ATP dimagnesium has anti-bacterial infection effects and can protect mice against bacterial infection in mice .
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178
178 Cited Publications
Cat. No.: HY-B2176A
CAS No.: 51963-61-2
Synonyms: Adenosine-5'-triphosphate disodium trihydrate
ATP (Adenosine 5'-triphosphate) disodium trihydrate is a central component of energy storage and metabolism in vivo. ATP disodium trihydrate provides the metabolic energy to drive metabolic pumps and serves as a coenzyme in cells. ATP disodium trihydrate is an important endogenous signaling molecule in immunity and inflammation. ATP disodium trihydrate can activate the NLRP3 inflammasome and induce IL-1β and chemokines secretion. ATP disodium trihydrate has anti-bacterial infection effects and can protect mice against bacterial infection in mice .
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175
175 Cited Publications
Cat. No.: HY-B0345A
CAS No.: 987-65-5
Synonyms: Adenosine 5'-triphosphate disodium salt; Disodium adenosine triphosphate
ATP disodium salt (Adenosine 5'-triphosphate disodium salt) is a central component of energy storage and metabolism in vivo, provides the metabolic energy to drive metabolic pumps and serves as a coenzyme in cells. ATP disodium salt is an important endogenous signaling molecule in immunity and inflammation .
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171
171 Cited Publications
Cat. No.: HY-W010735
CAS No.: 34369-07-8
Synonyms: Adenosine 5'-triphosphate disodium salt hydrate
ATP (Adenosine 5'-triphosphate) disodium salt hydrate is a central component of energy storage and metabolism in vivo. ATP disodium salt hydrate provides the metabolic energy to drive metabolic pumps and serves as a coenzyme in cells. ATP disodium salt hydrate is an important endogenous signaling molecule in immunity and inflammation. ATP disodium salt hydrate can activate the NLRP3 inflammasome and induce IL-1β and chemokines secretion. ATP disodium salt hydrate has anti-bacterial infection effects and can protect mice against bacterial infection in mice .
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168
168 Cited Publications
Cat. No.: HY-B2176C
CAS No.: 42373-41-1
Synonyms: Adenosine 5'-triphosphate dipotassium
ATP (Adenosine 5'-triphosphate) dipotassium is a central component of energy storage and metabolism in vivo. ATP dipotassium provides the metabolic energy to drive metabolic pumps and serves as a coenzyme in cells. ATP dipotassium is an important endogenous signaling molecule in immunity and inflammation. ATP dipotassium can activate the NLRP3 inflammasome and induce IL-1β and chemokines secretion. ATP dipotassium has anti-bacterial infection effects and can protect mice against bacterial infection in mice .
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168
168 Cited Publications
Cat. No.: HY-B2176E
CAS No.: 1476-84-2
Synonyms: Adenosine 5'-triphosphate magnesium
ATP (Adenosine 5'-triphosphate) magnesium is a central component of energy storage and metabolism in vivo. ATP magnesium provides the metabolic energy to drive metabolic pumps and serves as a coenzyme in cells. ATP magnesium is an important endogenous signaling molecule in immunity and inflammation. ATP magnesium can activate the NLRP3 inflammasome and induce IL-1β and chemokines secretion. ATP magnesium has anti-bacterial infection effects and can protect mice against bacterial infection in mice .
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168
168 Cited Publications
Cat. No.: HY-B2176I
CAS No.: 987-65-5
Synonyms: Adenosine 5'-triphosphate disodium salt, 100 MM Solution, PCR Grade
ATP (Adenosine 5'-triphosphate) disodium salt, 100 mM Solution, PCR Grade is a central component of energy storage and metabolism in vivo. ATP disodium salt, 100 mM Solution, PCR Grade provides the metabolic energy to drive metabolic pumps and serves as a coenzyme in cells. ATP disodium salt, 100 mM Solution, PCR Grade is an important endogenous signaling molecule in immunity and inflammation. ATP disodium salt, 100 mM Solution, PCR Grade can activate the NLRP3 inflammasome and induce IL-1β and chemokines secretion. ATP disodium salt, 100 mM Solution, PCR Grade has anti-bacterial infection effects and can protect mice against bacterial infection in mice .
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153
153 Cited Publications
Cat. No.: HY-K0013

MCE Protease and Phosphatase Inhibitor Cocktail (EDTA-Free, 10× in ddH2O) protects protein from degradation by endogenous proteases released during protein extraction and purification.The 1 mL volume is defined as the base specification. All larger sizes correspond to incremental volumes of this base.

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142
142 Cited Publications
Cat. No.: HY-12591
CAS No.: 103404-75-7
Purity:  99.92%
Synonyms: D-(-)-Luciferin sodium; Firefly luciferin sodium; Beetle Luciferin sodium
D-luciferin sodium is the natural substrate of the enzyme luciferase (Luc) that catalyzes the production of the typical yellowgreen light of fireflies. The 560 nm chemiluminescence from this reaction peaks within seconds, with light output that is proportional to luciferase concentration when the substrate luciferin is present in excess. The luciferase (luc) gene is a popular reporter gene for research and agent screening. Chemiluminescent techniques are virtually background-free, making the luc reporter gene ideal for detecting low-level gene expression. As little as 0.02 pg of luciferase can be reliably measured in a standard scintillation counter. In addition to its role as a reporter of gene expression, luciferase is commonly used in an extremely sensitive assay for ATP . We of er the firefly luciferase (HY-P1004A), luciferin free acid (HY-12591A), as well as its water-soluble sodium salts (HY-12591) and potassium salts (HY-12591B) .
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142
142 Cited Publications
Cat. No.: HY-12591A
CAS No.: 2591-17-5
Purity:  99.54%
Synonyms: D-(-)-Luciferin; Firefly luciferin; Beetle Luciferin
D-luciferin is the natural substrate of the enzyme luciferase (Luc) that catalyzes the production of the typical yellowgreen light of fireflies. The 560 nm chemiluminescence from this reaction peaks within seconds, with light output that is proportional to luciferase concentration when the substrate luciferin is present in excess. The luciferase (luc) gene is a popular reporter gene for research and agent screening. Chemiluminescent techniques are virtually background-free, making the luc reporter gene ideal for detecting low-level gene expression. As little as 0.02 pg of luciferase can be reliably measured in a standard scintillation counter. In addition to its role as a reporter of gene expression, luciferase is commonly used in an extremely sensitive assay for ATP . We of er the firefly luciferase (HY-P1004A), luciferin free acid (HY-12591A), as well as its water-soluble sodium salts (HY-12591) and potassium salts (HY-12591B) .
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142
142 Cited Publications
Cat. No.: HY-12591B
CAS No.: 115144-35-9
Purity:  99.97%
Synonyms: D-(-)-Luciferin potassium; Firefly luciferin potassium; Beetle Luciferin potassium
D-luciferin potassium is the natural substrate of the enzyme luciferase (Luc) that catalyzes the production of the typical yellowgreen light of fireflies. The 560 nm chemiluminescence from this reaction peaks within seconds, with light output that is proportional to luciferase concentration when the substrate luciferin is present in excess. The luciferase (luc) gene is a popular reporter gene for research and agent screening. Chemiluminescent techniques are virtually background-free, making the luc reporter gene ideal for detecting low-level gene expression. As little as 0.02 pg of luciferase can be reliably measured in a standard scintillation counter. In addition to its role as a reporter of gene expression, luciferase is commonly used in an extremely sensitive assay for ATP . We offer the firefly luciferase (HY-P1004A), luciferin free acid (HY-12591A), as well as its water-soluble sodium salts (HY-12591) and potassium salts (HY-12591B) .
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