Metabolism

<p>α-Glucosidase-IN-50 (compound 8) acts as an inhibitor of α-Glucosidase.</p>

<p>Carbonic anhydrase/AChE-IN-2 (compound 19) is a selective inhibitor of acetylcholinesterase (AChE) and carbonic anhydrase (CA), with inhibition efficiencies (Ei) of 8.54 nM, 13.54 nM, and 5.21 nM, respectively.</p>

<p>Daprodustat (GSK1278863) is a HIF-prolyl hydroxylase inhibitor.</p>

<p>DSPE-PEG5000-CGKRK is a PEG compound composed of DSPE and the cell-penetrating peptide (CGKRK). It is utilized for drug delivery applications.</p>

<p>DSPE-PEG2000-MPG is a PEG compound composed of DSPE and the peptide carrier (MPG). The MPG component is derived from the nuclear localization sequence (NLS) of the SV40 large T antigen and the fusion peptide domain of HIV-1gp41. It effectively delivers short oligonucleotides into cells independently of the endosomal pathway.</p>

<p>DSPE-PEG5000-Octreotide is a PEG compound composed of DSPE and Octreotide. Octreotide serves as a somatostatin receptor agonist and exhibits anti-tumor properties, induces apoptosis, and is applicable for acromegaly research. DSPE-PEG5000-Octreotide can be utilized in drug delivery.</p>

<p>DSPE-PEG1000-K237 is a PEG compound composed of DSPE and the KDR-targeting peptide (K237). K237 functionally disrupts the interaction between VEGF and KDR receptors, producing significant biological effects such as inhibiting angiogenesis and tumor growth. DSPE-PEG1000-K237 is applicable for drug delivery.</p>

<p>DSPE-PEG5000-PP1 is a PEG compound composed of DSPE and the PP1 peptide, which targets inflammatory atherosclerotic plaques. It can be used for drug delivery.</p>

<p>DSPE-PEG2000-VIP is a PEG-based compound composed of DSPE and the vasoactive intestinal peptide (VIP). This compound is useful for drug delivery applications.</p>

<p>DSPE-PEG1000-CSTSMLKAC is a PEG compound composed of DSPE and CSTSMLKAC. The CSTSMLKAC component facilitates phage-mediated targeting to ischemic cardiac tissue. DSPE-PEG1000-CSTSMLKAC is applicable in drug delivery.</p>

<p>GGACK (H-Glu-Gly-Arg-CMK) hydrochloride is an irreversible substrate-like inhibitor of the serine protease urokinase-type plasminogen activator (uPA).</p>

<p>H-Ile-Pro-Pro-OH acetate is a angiotensin-converting enzyme inhibitor (ACE) of milk-derived tripeptides.</p>

<p>Monoglyceridelipase is a crucial enzyme involved in lipid metabolism, catalyzing the hydrolysis of monoglycerides (especially 2-AG, or 2-arachidonoylglycerol) into glycerol and free fatty acids. By regulating the levels of 2-AG, this enzyme impacts neural signaling, pain perception, inflammatory responses, and metabolic processes.</p>

<p>α-Glucosidase-IN-72 (compound 5i), a 2,4-dichloro-N-phenylacetamide derivative, functions as an α-glucosidase inhibitor with an inhibitory concentration (IC 50) of 6 μM. Notably, it does not adhere to Lipinski's "rule of five" and is not a cancer inducer.</p>

<p>NAD Synthetase is responsible for the final step in the synthesis of Nicotinamide Adenine Dinucleotide (NAD). The enzyme sourced from Escherichia coli exhibits Km values of 200 μM for NAD, 11 μM for ATP, and 0.65 μM for ammonia. Conversely, NAD Synthetase derived from yeast demonstrates Km values of 170 μM for NAD, 190 μM for ATP, and 64 μM for ammonia. This enzyme is applicable in enzymatic assays for ATP, ammonia, urea, or creatinine and can also be used in enzymatic recycling methods. Additionally, NAD Synthetase holds potential for research into metabolic diseases, cancer, aging, and neurodegenerative disorders.</p>

<p>Compound 10 (h15-LOX-2 inhibitor 2) suppresses h15-LOX activity, exhibiting IC 50 and K i values of 26.9 μM and 16.4 μM, respectively.</p>

<p>Compound 7a, Methyl (5α,7α)-7-hydroxy-3-oxocholan-24-oate, is a metabolite of bile acid.</p>

<p>PROTAC SGK3 degrader-1 (SGK3-PROTAC1) is a PROTAC coupler that targets SGK3 and binds ligands to VH032 VHL to induce endogenous SGK3 degradation.</p>

<p>N-acetyl Leukotriene E4 is an endogenous metabolite of Leukotriene E4, less active than Leukotriene E4, causing constriction of the airways.</p>

<p>GW6340 is a selective LXR agonist with potential anticancer activity that promotes macrophage reverse cholesterol transport (mRCT) and can be used to study atherosclerosis.</p>

<p>O-Demethyl Lenvatinib, a Lenvatinib metabolite, is an oral TKI targeting VEGFR, FGFR, PDGFR, KIT &amp; RET with potent antitumor effects.</p>

<p>Tadalafil: a carboline-based PDE5 inhibitor, treats erectile dysfunction, prostatic hyperplasia, and pulmonary hypertension.</p>

<p>1-Palmitoyl LPA: a palmitic acid-containing LPA analog, targets GPCRs, affects cell responses, and boosts β-lactam antibiotics against Pseudomonas aeruginosa.</p>

<p>Carbonic anhydrase, a zinc enzyme in all life forms, converts CO2 to bicarbonate; studied for cancer, glaucoma, obesity, epilepsy.</p>

<p>Toddacoumalone, a natural PDE4 inhibitor, shows promise for inflammatory disease research.</p>

<p>(±)18-HETE (18-Hydroxyeicosatetraenoic acid) is an arachidonic acid metabolite with a hydroxyl group on carbon 18, catalyzed by cytochrome P-450.</p>

<p>Wild-type human myoregulin (wt hMLN) is a microprotein that inhibits the sarcoplasmic reticulum Ca²⁺ pump (SERCA), playing a crucial role in the regulation of</p>

<p>ALR2-IN-1: potent, selective inhibitor of ALR2 (IC50=1.42 μM), antiglycemic, antioxidant; for diabetes research.</p>

<p>Compound 4d, known as hCA XII-IN-6, is a potent inhibitor of human carbonic anhydrase XII (hCA XII) with a Ki value of 84.2 nM and exhibits anti-proliferative</p>

<p>α-Glucosidase-IN-26 (Compound 7i), with an IC50 value of 4.63 µM, functions as an α-glucosidase inhibitor and is utilized in research related to type 2 diabetes</p>

<p>D-Pro-Phe-Arg-Chloromethylketone, an inhibitor of coagulation factor XII and plasma kallikrein, is significant in the regulation of thrombosis and inflammation</p>

<p>Ser-Ala-alloresact acetate is a sperm-activating peptide (SAP) that is released by marine invertebrate eggs and plays an important role in fertilization.</p>

<p>SGK1-IN-4 is a selective inhibitor of SGK1 and can be used in studies about osteoarthritis.</p>

<p>Amidases, belonging to the nitrilase superfamily, catalyze amide hydrolysis to yield carboxylic acid and ammonia.</p>

<p>CAIX/CAXII-IN-3 (compound 11) serves as an inhibitor for CAIX/CAXII, exhibiting an IC50 value of less than 65 nM. Additionally, this compound effectively inhibits the proliferation of human melanoma cells.</p>

<p>IDO1-IN-23 (compound 41) is a potent inhibitor of human indoleamine 2,3-dioxygenase 1 (IDO1), exhibiting an IC50 of 13 μM [1].</p>

<p>HIF-1α-IN-6 (compound 3s) is a potent inhibitor of HIF-1α, demonstrating IC50 values of 0.6 nM and 53.3 nM in MiaPaCa-2 and MDA-MB-231 cells, respectively.</p>

<p>SX29 is a non-competitive α-glucosidase inhibitor with oral activity, exhibiting an IC50 of 2.12 μM. It possesses hypoglycemic properties; oral administration of SX29 reduces blood glucose levels and enhances glucose tolerance in diabetic mice.</p>

<p>Calciseptine, a neurotoxin isolated from the Black Mamba (Dendroaspis p.</p>

<p>Alanine aminotransferase (ALT), a pyridoxal-dependent enzyme, catalyzes the reversible interconversion of L-alanine and 2-oxoglutarate into pyruvate and L-</p>

<p>PF-07238025, a potent branched-chain ketoacid dehydrogenase kinase (BDK) inhibitor with an EC50 of 19 nM, enhances the stability of the BDK-BCKDH core E2</p>

<p>Glucocerebrosidase (Glucosylceramidase; GBA), a lysosomal enzyme, catalyzes the hydrolysis of the β-glucosidic linkage in glucocerebroside (GC) to yield glucose</p>

<p>Stevisaliosides D (Compound 5), extracted from the roots of Stevia serrata, exhibits inhibition of PTP1B with an IC50 of 31.8 μM and has applications in</p>

<p>hBChE-IN-4 (compound 40) serves as an effective activator for hCA and an inhibitor for BChE. It demonstrates affinity for various hCA subtypes with affinity constants (KA) of 266 nM for hCA I, 76.9 nM for hCA II, 918 nM for hCA IV, 893 nM for hCA VB, and 98.0 nM for hCA VII. Inhibition concentrations (IC50) for eeAChE and eqBChE are recorded at 72.1 nM and 4.2 nM, respectively. hBChE-IN-4 is non-cytotoxic and has demonstrated potential cognitive enhancement effects. It holds potential for research in neurodegenerative and other neuropsychiatric disorders.</p>

<p>Cytochrome P450 metabolism of polyunsaturated fatty acids produces numerous bioactive epoxide regioisomers.</p>

<p>Netupitant N-oxide is a highly selective antagonist of NK1 receptor, is Netupitant metabolite.</p>

<p>Ribulose: key in pentose metabolism, aids L-ribose isomerase study, yeast engineering, and chiral compound research.</p>

<p>Forrestiacid J is an inhibitor of ATP-citrate lyase (ACL), exhibiting an IC50 value of 2.6 μM [1].</p>

<p>γ-Glu-Gly TFA, a γ-glutamyl dipeptide, is a human lipid metabolite with a structure resembling GABA (γ-aminobutyric acid).</p>

<p>Forrestiacid K, a terpenoid derived from Pseudotsuga forrestii, functions as an inhibitor of ATP-citrate lyase (ACL) [1].</p>

<p>HIF-1α-IN-2 hydrochloride is a potent HIF-1α inhibitor exhibiting anticancer activity, demonstrated by IC50 values of 28 nM in MDA-MB-231 cells and 15 nM in</p>

<p>α-Hydroxyglutaric Acid Lithium is an α-ketoglutarate-dependent dioxygenase and 5-methylcytosine hydroxylase inhibitor of ATP synthase.</p>

<p>Malonyl CoA: needed for fat creation, stops fat breakdown, reversibly inhibits CPT1 in mitochondria.</p>

<p>Hydroxypyruvic acid: a metabolic intermediate for glycine, serine, threonine; used by serine-pyruvate aminotransferase, glyoxylate reductase.</p>

<p>Methiocarb is a carbamate insecticide acting as a reversible AChE or ChE inhibitor, inducing oxidative stress in rats.</p>

<p>Compound 6C, a PROTAC degrader, targets CYP1B1 with IC50s (95.1 nM CYP1B1, 9838.6 nM CYP1A2) for prostate cancer research.</p>

<p>Renierol is a natural xanthine oxidase inhibitor with hypouricemic effects isolated from marine sponge Halicdona.SP.</p>

<p>Ro 61-1448 is a metabolite of tolcapone, a catechol-O-methyltransferase inhibitor.</p>

<p>Relzomostat inhibits MetAP2, with research potential for obesity and type 2 diabetes.</p>

<p>Aschantin is a useful organic compound for research related to life sciences. The catalog number is T126072 and the CAS number is 13060-15-6.</p>

<p>(-)-Jasmonoyl-L-isoleucine ((-)-JA-L-Ile), an enantiomer of (+)-JA-L-Ile [1], is an inactive endogenous hormone.</p>

<p>Efmoroctocog alfa, a recombinant human coagulation factor VIII-Fc fusion protein (rFVIIIFc), serves as a therapeutic agent for Hemophilia A research [1].</p>

<p>24, 25-Dihydroxy VD3 is closely related to 1,25-dihydroxy vitamin D3, the active form of vitamin D3.</p>

<p>UK 227786 is an inhibitor of phosphodiesterase 5 (PDE5), used for treatment of prostatic diseases.</p>

<p>1-Palmitoyl Lysophosphatidic Acid boosts antibiotics against P. aeruginosa by binding Ca2+ and Mg2+.</p>

<p>PmST3 is a beta-galactoside enzyme adding sialic acid to glycoproteins and glycolipids.</p>

<p>Seocalcitol is an analog of vitamin D, binds vitamin D receptor protein from human osteosarcoma MG-63 cells(Kd : 0.27 nM).</p>

<p>MAGL-IN-5 is a non-selective lipase inhibitor.</p>

<p>Purine nucleoside phosphorylase deficiency impairs T cells; it breaks bonds in DNA components, releasing bases and ribose phosphate.</p>

<p>Vitamin D4 is the active Vitamin D analog.</p>

<p>2,8-Dihydroxyadenine causes urinary crystals, kidney stones, and helps diagnose APRT deficiency.</p>

<p>Compound 5C, referred to as Pkm2-in-4, is a selective PKM2 inhibitor (IC50 = 0.35 µM) that modulates pyruvate-dependent respiration and promotes mitochondrial</p>

<p>Tetranor-PGEM, the primary urinary byproduct of PGE1 and PGE2, marks PGE2 production; humans excrete 7-40 μg daily.</p>

<p>SHP2 protein degrader-2 (SHP2-D26), a PROTAC degrader targeting the SHP2 protein, effectively diminishes its expression levels across various cancer cell types</p>

<p>N-(2-hydroxyethyl)-oxamic acid stems from Metronidazole reduction, occurring chemically or via gut bacteria; it's an effective antibiotic.</p>

<p>Poly(4-vinylphenol) is an endogenous metabolite.</p>

<p>ICMT-IN-35 (compound 10n), an ICMT inhibitor with an IC50 value of 0.8 μM, is a FTPA-triazole derivative.</p>

<p>MK-4074 is a liver-specific acetyl-CoA carboxylase ACC1 and ACC2 inhibitor(IC50 of 3 nM).</p>

<p>Glycogen phosphorylase-IN-2 (compound 9C) is an inhibitor of glycogen phosphorylase, with a Ki value of 1.9 nM and an IC50 value of 4 nM.</p>

<p>Phosphate acetyltransferase, an enzyme, reversibly transfers acetyl groups to CoA, aiding in acetate assimilation/dissimilation.</p>

<p>Sorbifolin is a flavone glucoside from Pterogyne nitens with myeloperoxidase inhibition (IC50: 19.2 nM) and radical scavenging effects.</p>

<p>MJ33-OH lithium is a metabolite of MJ33.</p>

<p>Compound PDK0106, with CAS No. 19395-41-6, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound PDK0106 provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.</p>

<p>Camellianin B, a flavonoid from Camellianin A, has antioxidant effects and blocks ACE.</p>

<p>Oleic acid-2,6-diisopropylanilide: ACAT inhibitor, IC50 7 nM; lowers LDL &amp; raises HDL in high-fat fed rabbits/rats at 0.05%.</p>

<p>D-LDH is an oxidoreductase turning D-lactate into pyruvate, using NAD+/NADP+; prevalent in bacteria and fungi, key for biochemical research.</p>

<p>Levothyroxine acyl glucuronide (Thyroxine Acyl-β-D-glucuronide), the acyl glucuronide formation of thyroxine (T4), an endogenous metabolite.</p>

<p>Dihomo-γ-Linolenic acid methyl ester is the methyl ester form of Dihomo-γ-Linolenic acid which has anti-inflammatory and anti-proliferative effects.</p>

<p>YF704 (compound 4w), a selective allosteric inhibitor of SHP2, exhibits antiproliferative effects and induces apoptosis in cancer cells with an IC50 of 0.25 μM.</p>

<p>Cholesteryl homo-γ-linolenate is a cholesterol ester.</p>

<p>O-desmethyl Mebeverine acid is a metabolite of Mebeverine.</p>

<p>Myristoyl coenzyme A lithium, a compound marked by lithium in its myristoylated form, plays a crucial role in the biochemical mechanism of myristoylation, essential for both viral functionalities and tumor growth in colon epithelial cells. This process is predominantly governed by N-myristoyltransferase (NMT), which exhibits increased activity in colon epithelial tumors compared to normal cells. The activity of NMT is significantly influenced by the reduction of coenzyme A (CoA), a vital regulator that enhances NMT's ability to induce myristoylation, unlike its oxidized form which impedes this process. Consequently, Myristoyl coenzyme A serves as an inhibitor to the demyristoylation activity, showcasing its potential as an anticancer and antiviral agent.</p>

<p>Fmoc-Tyr(3-F,tBu)-OH: Cyclic peptide with high permeability, target-specific affinity. Sourced from WO2018225864A1.</p>

<p>TC HSD 21 is a potent and highly selective inhibitor of 17β-hydroxysteroid dehydrogenase type 3 (IC50 = 14 nM).</p>

<p>CYP1B1-IN-7 is a CYP1B1 inhibitor that can be used in synergy with anticancer compounds for the treatment of cancers.</p>

<p>Aeruginosin B is a biochemical.</p>

<p>DSPE-PEG2000-CSTSMLKAC is a PEG compound composed of DSPE and CSTSMLKAC. CSTSMLKAC can mediate phage selective homing to ischemic heart tissue. DSPE-PEG2000-CSTSMLKAC is suitable for drug delivery.</p>

<p>WVSAV is a ligand for the PDZ2 domain (tyrosine phosphatase) with a dissociation constant (Kd) of 111 μM. It is utilized in studies of protein-ligand interactions.</p>

<p>α-glucosidase/PTP1B-IN-1 (compound 8a) is an effective inhibitor of both α-glucosidase and PTP1B, with IC50 values of 66.3 μM and 47.0 μM, respectively. It also exhibits strong inhibitory activity against α-amylase, having an IC50 of 30.62 μM. This compound is capable of binding to the active sites of α-glucosidase and PTP1B. α-glucosidase/PTP1B-IN-1 holds potential for reducing postprandial blood glucose levels and may be useful in managing type 2 diabetes.</p>

<p>LYP-IN-1 is a potent, selective inhibitor of lymphoid-specific tyrosine phosphatase useful for studying autoimmune disorders and immune signaling.</p>

<p>D-Fructose 1-phosphate disodium salt, a derivative of fructose, serves as a crucial intermediate in glucose metabolism.</p>

<p>MCU-i11 is a novel negative modulator of the MCU, binding MICU1 and impairing muscle cell growth.</p>

<p>SR-4995 (CID 16016685) is an ABHD5 ligand, directly binding to ABHD5 and stimulating lipolysis by releasing it from PLIN.</p>

<p>Maltodextrin (DE 16.5-19.5) is an inactive pharma excipient that enhances drug stability, solubility, and processing.</p>

<p>ARL67156 trisodium hydrate inhibits ecto-ATPase, NTPDase1, NTPDase3, NPP1 (Kis 11-18µM), for calcific valve disease, asthma research.</p>

<p>Genz-123346 is an oral inhibitor of glucosylceramide synthase, blocking ceramide to GL1 conversion, with a 14 nM IC50.</p>

<p>PNGase F is an endoglycosidase and amide hydrolase that catalyses the cleavage of internal glycosidic bonds in oligosaccharides.</p>