Month: December 2022

Karpe, Avinash V. published the artcileUntargeted Metabolic Profiling of Winery-Derived Biomass Waste Degradation by Penicillium chrysogenum, Formula: C6H10O7, the publication is Journal of Agricultural and Food Chemistry (2015), 63(49), 10696-10704, database is CAplus and MEDLINE.

Winery-derived biomass waste was degraded by Penicillium chrysogenum under solid state fermentation over 8 days in a ²H₂O-supplemented medium. Multivariate statistical anal. of the gas chromatog.-mass spectrometry (GC-MS) data resulted in the identification of 94 significant metabolites, within 28 different metabolic pathways. The majority of biomass sugars were utilized by day 4 to yield products such as sugars, fatty acids, isoprenoids, and amino acids. The fungus was observed to metabolize xylose to xylitol, an intermediate of ethanol production However, enzyme inhibition and autolysis were observed from day 6, indicating 5 days as the optimal time for fermentation P. chrysogenum displayed metabolism of pentoses (to alcs.) and degraded tannins and lignins, properties that are lacking in other biomass-degrading ascomycetes. Rapid fermentation (3-5 days) may not only increase the pentose metabolizing efficiency but also increase the yield of medicinally important metabolites, such as syringate.

Journal of Agricultural and Food Chemistry published new progress about 526-98-7. 526-98-7 belongs to alcohols-buliding-blocks, auxiliary class Sugar Units,Other Sugar Units, name is (3S,4R,5S)-3,4,5,6-Tetrahydroxy-2-oxohexanoic acid, and the molecular formula is C6H10O7, Formula: C6H10O7.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Richter, David published the artcileZeBRα a universal, multi-fragment DNA-assembly-system with minimal hands-on time requirement, Formula: C14H28O5S, the publication is Scientific Reports (2019), 9(1), 1-16, database is CAplus and MEDLINE.

The recently evolved field of synthetic biol. has revolutionized the way we think of biol. as an “engineerable” discipline. The newly sprouted branch is constantly in need of simple, cost-effective and automatable DNA-assembly methods. We have developed a reliable DNA-assembly system, ZeBRα (Zero-Background Redα), for cloning multiple DNA-fragments seamlessly with very high efficiency. The hallmarks of ZeBRα are the greatly reduced hands-on time and costs and yet excellent efficiency and flexibility. ZeBRα combines a “zero-background vector” with a highly efficient in vitro recombination method. The suicide-gene in the vector acts as placeholder, and is replaced by the fragments-of-interest, ensuring the exclusive survival of the successful recombinants. Thereby the background from uncut or re-ligated vector is absent and screening for recombinant colonies is unnecessary. Multiple fragments-of-interest can be assembled into the empty vector by a recombinogenic E. coli-lysate (SLiCE) with a total time requirement of less than 48 h. We have significantly simplified the preparation of the high recombination-competent E. coli-lysate compared to the original protocol. ZeBRα is the least labor intensive among comparable state-of-the-art assembly/cloning methods without a trade-off in efficiency.

Scientific Reports published new progress about 85618-21-9. 85618-21-9 belongs to alcohols-buliding-blocks, auxiliary class Tetrahydropyran,Chiral,sulfides,Alcohol, name is (2R,3S,4S,5R,6S)-2-(Hydroxymethyl)-6-(octylthio)tetrahydro-2H-pyran-3,4,5-triol, and the molecular formula is C14H28O5S, Formula: C14H28O5S.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Khim, Seock-Kyu published the artcileDiscovery of novel and potent aryl diamines as leukotriene A₄ hydrolase inhibitors, Formula: C10H9NO, the publication is Bioorganic & Medicinal Chemistry Letters (2008), 18(14), 3895-3898, database is CAplus and MEDLINE.

The synthesis and biol. evaluation of a series of aryl diamines as inhibitors of LTA₄ hydrolase inhibitors are described. The optimization which led to the identification of the optimal para-substitution on the di-Ph ether moiety and diamine spacer is discussed. The resulting compounds such as I have excellent enzyme and cellular potency as well as desirable pharmacokinetic properties.

Bioorganic & Medicinal Chemistry Letters published new progress about 23351-09-9. 23351-09-9 belongs to alcohols-buliding-blocks, auxiliary class Pyrrole,Benzene,Alcohol, name is 4-(1H-Pyrrol-1-yl)phenol, and the molecular formula is C10H9NO, Formula: C10H9NO.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Baud, Matthias G. J. published the artcileAminobenzothiazole derivatives stabilize the thermolabile p53 cancer mutant Y220C and show anticancer activity in p53-Y220C cell lines, Category: alcohols-buliding-blocks, the publication is European Journal of Medicinal Chemistry (2018), 101-114, database is CAplus and MEDLINE.

Many cancers have the tumor suppressor p53 inactivated by mutation, making reactivation of mutant p53 with small mols. a promising strategy for the development of novel anticancer therapeutics. The oncogenic p53 mutation Y220C, which accounts for approx. 100,000 cancer cases per yr, creates an extended surface crevice in the DNA-binding domain, which destabilizes p53 and causes denaturation and aggregation. Here, we describe the structure-guided design of a novel class of small-mol. Y220C stabilizers and the challenging synthetic routes developed in the process. The synthesized chem. probe MB710, an aminobenzothiazole derivative, binds tightly to the Y220C pocket and stabilizes p53-Y220C in vitro. MB725, an ethylamide analog of MB710, induced selective viability reduction in several p53-Y220C cancer cell lines while being well tolerated in control cell lines. Reduction of viability correlated with increased and selective transcription of p53 target genes such as BTG2, p21, PUMA, FAS, TNF, and TNFRSF10B, which promote apoptosis and cell cycle arrest, suggesting compound-mediated transcriptional activation of the Y220C mutant. Our data provide a framework for the development of a class of potent, non-toxic compounds for reactivating the Y220C mutant in anticancer therapy.

European Journal of Medicinal Chemistry published new progress about 2240-88-2. 2240-88-2 belongs to alcohols-buliding-blocks, auxiliary class Trifluoromethyl,Fluoride,Aliphatic hydrocarbon chain,Alcohol, name is 3,3,3-Trifluoropropan-1-ol, and the molecular formula is C3H5F3O, Category: alcohols-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Witty, David R. published the artcileSAR of biphenyl carboxamide ligands of the human melanin-concentrating hormone receptor 1 (MCH R1): Discovery of antagonist SB-568849, Formula: C10H15NO, the publication is Bioorganic & Medicinal Chemistry Letters (2006), 16(18), 4865-4871, database is CAplus and MEDLINE.

We report here the discovery of a class of MCH R1 ligands based on a biphenyl carboxamide template. A docked-in model is presented indicating key interactions in the putative binding site of the receptor. Parallel high throughput synthetic techniques were utilized to allow rapid exploration of the structure-activity relationship around this template, leading to compound SB-568849 (I) which possessed good receptor affinity and selectivity. This compound proved to be an antagonist with stability in vivo, an acceptable brain-blood ratio and oral bioavailability.

Bioorganic & Medicinal Chemistry Letters published new progress about 101-98-4. 101-98-4 belongs to alcohols-buliding-blocks, auxiliary class Amine,Benzene,Alcohol, name is 2-(Benzyl(methyl)amino)ethanol, and the molecular formula is C13H14BNO2, Formula: C10H15NO.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Kumari, Aloka published the artcileIn vitro propagation via organogenesis and embryogenesis of Cyrtanthus mackenii: a valuable threatened medicinal plant, Product Details of C13H13N5O, the publication is Plant Cell, Tissue and Organ Culture (2017), 131(3), 407-415, database is CAplus.

Efficient and simple, organogenesis (direct and indirect) and somatic embryogenesis (cell suspension) systems were developed for in vitro propagation of Cyrtanthus mackenii, a valuable economic plant from leaf explants cultured on Murashige and Skoog (MS) medium supplemented with various concentrations and combinations of sucrose, plant growth regulators (PGRs), glutamine, phloroglucinol (PG) and 6-(2-hydroxy-3-methylbenzylamino) purine (PI55). MS medium solidified with 8 g L^-1 agar (MS_S) containing 40 g L^-1 sucrose, 10 μM picloram, 2.5 μM benzyladenine (BA) and 20 μM glutamine produced a higher number of shoots from white nodular callus. This was however, not significantly different to direct shoot regeneration on media containing 10 μM picloram, 2.5 μM BA and a reduced concentration of sucrose and glutamine. The regenerated shoots were rooted best with MS_S medium incorporating 10 μM PG. The number of somatic embryos (SEs) were significantly higher using liquid MS medium containing 30 g L^-1 sucrose, 0.5 μM picloram, 1 μM thidiazuron or BA and 3 μM glutamine or gibberellic acid. The embryos were germinated in PGR-free MS_S medium. All plantlets were successfully acclimatized in the greenhouse. Histol. studies confirmed the different developmental stages and bipolar structure of SE. The organogenesis and somatic embryogenesis protocols provides a system for large scale propagation and germplasm conservation. Developed protocols can be used for clonal production and pharmacol. and genetic transformation studies.

Plant Cell, Tissue and Organ Culture published new progress about 1122579-42-3. 1122579-42-3 belongs to alcohols-buliding-blocks, auxiliary class 5.6_Aromatics,Purines, name is 2-(((9H-Purin-6-yl)amino)methyl)-6-methylphenol, and the molecular formula is C13H13N5O, Product Details of C13H13N5O.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Kumari, Aloka published the artcilePlant growth regulator interactions in physiological processes for controlling plant regeneration and in vitro development of Tulbaghia simmleri, Quality Control of 1122579-42-3, the publication is Journal of Plant Physiology (2018), 65-71, database is CAplus and MEDLINE.

The endogenous auxin and cytokinin contents of in vitro regenerated T. simmleri maintained on applied plant growth regulators in Murashige and Skoog (MS) medium were investigated using UHPLC-MS anal. The highest number of shoots (27.6 per leaf) were produced in MS medium supplemented with 2.5 μM thidiazuron. A higher number of these shoots were rooted with 10 μM 6-(2-hydroxy-3-methylbenzylamino) purine (PI-55, cytokinin antagonist). The production of somatic embryos (SEs: 16.4-4.6, globular to cotyledonary stages) improved significantly with liquid MS medium containing 2.5 μM picloram, 2.5 μM phloroglucinol (PG) and 1.5 μM gibberellic acid or 1.5 μM PI-55 and 1.0 μM trans-zeatin. SEs (torpedo and cotyledonary stages) germinated (100%) in plant growth regulator-free MS medium. The plantlets were acclimatized and all survived in the greenhouse. Higher levels of endogenous auxin, 2-oxindole-3-acetic acid (oxIAA, 371.52 pmol/g DW) and indole-3-acetylaspartate (IAAsp, 141.56 pmol/g DW) were detected in shoots from PG treatments. The roots of garden-grown mother plants possessed the highest level of indole-3-acetic acid (IAA, 630.54 pmol/g DW) and oxIAA (515.26 pmol/g DW). Cytokinins [CKs: trans-zeatin-O-glucoside (tZOG), cis-zeatin (cZ) and N⁶-isopentenyladenosine-5′-monophosphate (iPRMP)] levels were relatively high in shoots and roots of plantlets in vitro. However, PI-55 treatments influenced the development of plantlets promoting a higher biosynthesis level of iPRMP (418.06 pmol/g DW in root) and cZRMP (904.61 pmol/g DW in roots and 1427.83 pmol/g DW in shoots). Thus, the presented protocols offer organogenesis and somatic organogenesis systems for rapid plant regeneration of T. simmleri. In addition, the importance of exogenous and endogenous hormonal effects on in vitro plant growth and development as well as endogenous hormone metabolism signaling and transport related to the physiol. processes of CK metabolism and transport were illustrated for in vitro development of T. simmleri.

Journal of Plant Physiology published new progress about 1122579-42-3. 1122579-42-3 belongs to alcohols-buliding-blocks, auxiliary class 5.6_Aromatics,Purines, name is 2-(((9H-Purin-6-yl)amino)methyl)-6-methylphenol, and the molecular formula is C13H13N5O, Quality Control of 1122579-42-3.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Nemeth, Ansley M. published the artcileStructure-Function Studies on IMD-0354 Identifies Highly Active Colistin Adjuvants, Synthetic Route of 328-90-5, the publication is ChemMedChem (2020), 15(2), 210-218, database is CAplus and MEDLINE.

Infections caused by multidrug-resistant (MDR) bacteria, particularly Gram-neg. bacteria, are an escalating global health threat. Often clinicians are forced to administer the last-resort antibiotic colistin; however, colistin resistance is becoming increasingly prevalent, giving rise to the potential for a situation in which there are no treatment options for MDR Gram-neg. infections. The development of adjuvants that circumvent bacterial resistance mechanisms is a promising orthogonal approach to the development of new antibiotics. We recently disclosed that the known IKK-β inhibitor IMD-0354 potently suppresses colistin resistance in several Gram-neg. strains. In this study, we explore the structure-activity relationship (SAR) between the IMD-0354 scaffold and colistin resistance suppression, and identify several compounds with more potent activity than the parent against highly colistin-resistant strains of Acinetobacter baumannii and Klebsiella pneumoniae.

ChemMedChem published new progress about 328-90-5. 328-90-5 belongs to alcohols-buliding-blocks, auxiliary class Trifluoromethyl,Fluoride,Carboxylic acid,Benzene,Phenol, name is 2-Hydroxy-4-(trifluoromethyl)benzoic acid, and the molecular formula is C8H5F3O3, Synthetic Route of 328-90-5.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Gholivand, Khodayar published the artcileSynthesis, characterized, QSAR studies and molecular docking of some phosphonates as COVID-19 inhibitors, Product Details of C4H11NO, the publication is Polyhedron (2022), 115824, database is CAplus and MEDLINE.

The global coronavirus (COVID-19) outbreak has prompted scientists to discover a cure for the disease. So far, phosphorus-based drugs have been proposed. These drugs have good inhibitory activity against the main protease (Mpro). Hence, in order to introduce a group of inhibitors the coronavirus, 51 compounds containing different mono, bis, and tetra phosphonates as Remdesivir derivatives, 32 of which are new, were synthesized and characterized by ³¹P, ¹³C, and ¹H NMR and IR spectroscopy. Their biol. activities were also investigated by Mol. Docking, QSAR, and Pharmacophore. Van der Waals, hydrogen bonding, and hydrophobic interactions were studied for all compounds as well as binding energy (ΔG, Kcal/mol) and the inhibitory constant Ki (μM) obtained by Mol. Docking. The results showed that the topol. of the ligands and the change of the different groups attached to them can be effective in the placement position in the active site of the enzyme (Glu 166 and Gln 189). And bisphosphonates have a high interaction tendency with Mpro COVID-19. Compound L24 was identified as the best inhibitor with the -6.38 kcal/mol binding energy. The quant. structure-activity relationship (QSAR) findings demonstrated that the polarity and topol. of mols. in all phosphonate derivatives were important parameters affecting the effecting on the binding energy and inhibitory ability of compounds The DFT and pharmacophore results are in good accordance with those of QSAR and mol. docking. This study can be helpful to gain a better understanding of the interactions between the Mpro of virus and its inhibitors in order to attain drugs with more effect on coronavirus (COVID-19).

Polyhedron published new progress about 96-20-8. 96-20-8 belongs to alcohols-buliding-blocks, auxiliary class Amine,Aliphatic hydrocarbon chain,Alcohol, name is 2-Aminobutan-1-ol, and the molecular formula is C4H11NO, Product Details of C4H11NO.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Komasa, Anna published the artcileA new diastereomeric type of N-morpholino-spiro derivative. Structural, spectroscopic and computational studies, Recommanded Product: 2-Morpholinoethanol, the publication is Journal of Molecular Structure (2021), 130018, database is CAplus.

N-(2-Hydroxyethyl)morpholine and chloroacetone form a new spirane compound, (R/S)-di-(N-morpholinyl-spiro-β-hydroxy-β-methylmorpholinyl chloride) hydrate (1). The mol. structure and spectroscopic properties of this salt were characterized by the single-crystal X-ray diffraction, DFT calculations, FTIR and NMR spectroscopies. The crystals of compound 1 are monoclinic, P2₁/c space group. Compound 1 consists of two non-equivalent spiro units (R and S). Each unit is built of two morpholine rings joined at the N(1) spiro center. The spiro units are linked by a water mol. through the O(W)-H(WA)···Cl(1) hydrogen bond of 3.141(7) Å with R-isomer and by an unusual interaction of water with the electron pair of morpholine oxygen atom of the other S-isomer. The total energy, geometry and natural at. charges, calculated at the B3LYP/6-311++G(d,p) level of theory, for studied compound and for R and S isomers were analyzed. The C-H···Cl contacts were confirmed by calculations based on the quantum theory of atoms in mol. (QTAIM). The ¹H and ¹³C chem. shifts were assigned by two-dimensional techniques, COSY, HSQC and HMBC. The exptl. and computed IR spectra were compared. The potential energy distribution (PED) was used to assign the vibrational spectra. Diagrams of HOMO and LUMO are presented and discussed.

Journal of Molecular Structure published new progress about 622-40-2. 622-40-2 belongs to alcohols-buliding-blocks, auxiliary class Morpholine,Alcohol, name is 2-Morpholinoethanol, and the molecular formula is C6H13NO2, Recommanded Product: 2-Morpholinoethanol.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts