Month: October 2022

Haykal, Tony; Younes, Maria; El Khoury, Marianne; Ammoury, Carl; Tannous, Stephanie; Hodroj, Mohammad H.; Sarkis, Rita; Gasilova, Natalia; Menin, Laure; Rizk, Sandra published the artcile< The pro-apoptotic properties of a phytonutrient rich infusion of A. cherimola leaf extract on AML cells>, COA of Formula: C6H10O8, the main research area is Annona cherimola leaf extract proapoptotic phytonutrient acute myeloid leukemia; Acute Myeloid Leukemia; Annona cherimola tea infusion; Anti-oxidant; Apoptosis; Phytochemicals.

Annonaceae family has broad uses in herbal medicine for treatment of several diseases, whether through seeds′ or leaves′ extracts The present study investigates the antiproliferative and antitumor activity of Annona cherimola aqueous leaf (AAL) extract/infusion in acute myeloid leukemia (AML) cell lines in vitro. High-resolution LC-MS was first used to analyze the composition of the aqueous extract Cell proliferation assay, Annexin V staining, cell cycle anal., dual Annexin V/PI staining, cell death quantification by ELISA, ROS level detection and Western Blotting were then performed to elucidate the therapeutic effects of AAL extract The results obtained revealed a potent antioxidant activity of AAL extract Moreover, the extract exhibited dose- and time-dependent antiproliferative effects on AML cell lines by decreasing cell viability with an IC50 of 5.03% (volume/volume) at 24 h of treatment of KG-1 cells. This decrease in viability was accompanied with a significant increase in apoptotic cell death with cell cycle arrest and flipping of the phosphatidylserine from the inner to the outer leaflet of the cell membrane. The resp. overexpression and downregulation of proapoptotic proteins like cleaved caspase-8, cleaved PARP-1 and Bax and antiapoptotic proteins like Bcl-2 further validated the apoptotic pathway induced by AAL on AML cells. Finally, LC-MS revealed the presence of several compounds like fatty acids, terpenes, phenolics, cinnamic acids and flavonoids that could contribute to the antioxidant and anti-cancer effects of this herbal infusion. In addition to the generally known nutritional effects of the Annona cherimola fruit and leaves, the presented data validates the antioxidant and anti-cancerous effects of the leaf infusion on AML cell lines, proposing its potential therapeutic use against acute myeloid leukemia with future in vivo and clin. trials.

Biomedicine & Pharmacotherapy published new progress about Acute myeloid leukemia (cell lines). 87-73-0 belongs to class alcohols-buliding-blocks, and the molecular formula is C6H10O8, COA of Formula: C6H10O8.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Sun, Tao; Lv, Tian; Wu, Jianbing; Zhu, Mingchao; Fei, Yue; Zhu, Jie; Zhang, Yihua; Huang, Zhangjian published the artcile< General Strategy for Integrated Bioorthogonal Prodrugs: Pt(II)-Triggered Depropargylation Enables Controllable Drug Activation In Vivo>, Synthetic Route of 4064-06-6, the main research area is bioorthogonal prodrug decaging platinum triggered depropargylation controllable drug activation.

Bioorthogonal decaging reactions for controllable drug activation within complex biol. systems are highly desirable yet extremely challenging. Herein, we find a new class of Pt(II)-triggered bioorthogonal cleavage reactions in which Pt(II) but not Pt(IV) complexes effectively trigger the cleavage of O/N-propargyl in a variety of ranges of caged mols. under biocompatible conditions. Based on these findings, we propose a general strategy for integrated bioorthogonal prodrugs and accordingly design a prodrug 16 (I), in which a Pt(IV) moiety is covalently connected with an O2-propargyl diazeniumdiolate moiety. It is found that I can be specifically reduced by cytoplasmic reductants in human ovarian cancer cells to liberate cisplatin, which subsequently stimulates the cleavage of O2-propargyl to release large amounts of NO in situ, thus generating synergistic and potent tumor suppression activity in vivo. Therefore, Pt(II)-triggered depropargylation and the integration concept might provide a general strategy for broad applicability of bioorthogonal cleavage chem. in vivo.

Journal of Medicinal Chemistry published new progress about Antitumor agents. 4064-06-6 belongs to class alcohols-buliding-blocks, and the molecular formula is C12H20O6, Synthetic Route of 4064-06-6.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Joshi, Tanuja; Joshi, Tushar; Pundir, Hemlata; Sharma, Priyanka; Mathpal, Shalini; Chandra, Subhash published the artcile< Predictive modeling by deep learning, virtual screening and molecular dynamics study of natural compounds against SARS-CoV-2 main protease>, COA of Formula: C20H21CaN7O7, the main research area is SARSCoV2 main protease virtual screening natural compound; COVID-19; deep learning; main protease (MPro); molecular docking; natural compounds.

The whole world is facing a great challenging time due to Coronavirus disease (COVID-19) caused by SARS-CoV-2. Globally, more than 14.6 M people have been diagnosed and more than 595 K deaths are reported. Currently, no effective vaccine or drugs are available to combat COVID-19. Therefore, the whole world is looking for new drug candidates that can treat the COVID-19. In this study, we conducted a virtual screening of natural compounds using a deep-learning method. A deep-learning algorithm was used for the predictive modeling of a CHEMBL3927 dataset of inhibitors of Main protease (Mpro). Several predictive models were developed and evaluated based on R2, MAE MSE, RMSE, and Loss. The best model with R2=0.83, MAE = 1.06, MSE = 1.5, RMSE = 1.2, and loss = 1.5 was deployed on the Selleck database containing 1611 natural compounds for virtual screening. The model predicted 500 hits showing the value score between 6.9 and 3.8. The screened compounds were further enriched by mol. docking resulting in 39 compounds based on comparison with the reference (X77). Out of them, only four compounds were found to be drug-like and three were non-toxic. The complexes of compounds and Mpro were finally subjected to Mol. dynamic (MD) simulation for 100 ns. The MMPBSA result showed that two compounds Palmatine and Sauchinone formed very stable complex with Mpro and had free energy of -71.47 kJ mol-1 and -71.68 kJ mol-1 resp. as compared to X77 (-69.58 kJ mol-1). From this study, we can suggest that the identified natural compounds may be considered for therapeutic development against the SARS-CoV-2.

Journal of Biomolecular Structure and Dynamics published new progress about Antiviral agents. 1492-18-8 belongs to class alcohols-buliding-blocks, and the molecular formula is C20H21CaN7O7, COA of Formula: C20H21CaN7O7.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Henke, Bettina; Westerlund, Douglas published the artcile< Hydrophobic chromatography and bioanalysis of some polar pyridine derivatives used as antilipolytic agents>, Category: alcohols-buliding-blocks, the main research area is pyridine derivative determination plasma chromatog; hypolipidemic determination plasma chromatog.

The antilipolytic compounds 5-fluoro-3-pyridinecarboxylic acid [402-66-4] and 5-fluoro-3-hydroxymethylpyridine [22620-32-2] were determined quant. in plasma (precisions = 5-7% in the concentration range 1-20 μg/mL) by liquid chromatog. on LiChrosorb RP-8 (5 μm) with phosphate buffer pH 3-4 as mobile phase, after precipitation of proteins and direct injection of the supernatant. Detection limits were 0.1-0.2 μg/mL plasma. The chromatog. retention was explained by adsorption of the uncharged compounds on to the support complemented by ion-pair adsorption with buffer components at extreme pH values.

Journal of Chromatography published new progress about Blood analysis. 22620-34-4 belongs to class alcohols-buliding-blocks, and the molecular formula is C6H6ClNO, Category: alcohols-buliding-blocks.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Doan, Son H.; Hussein, Mohanad A.; Nguyen, Thanh Vinh published the artcile< Tropylium-promoted Ritter reactions>, Application In Synthesis of 76-84-6, the main research area is amide preparation microwave continuous flow; alc nitrile Ritter reaction tropylium salt catalyst.

Herein, the development of a new method using salts of the tropylium ion to promote the Ritter reaction was reported. This method works well on a range of alcs., e.g., 1-phenylethanol and nitriles, e.g., acetonitrile, giving the corresponding products, e.g., N-(1-phenylethyl)acetamide in good to excellent yields. This reaction protocol is amenable to microwave and continuous flow reactors, offering an attractive opportunity for further applications in organic synthesis.

Chemical Communications (Cambridge, United Kingdom) published new progress about Alcohols Role: RCT (Reactant), RACT (Reactant or Reagent). 76-84-6 belongs to class alcohols-buliding-blocks, and the molecular formula is C19H16O, Application In Synthesis of 76-84-6.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Klouda, Jan; Benesova, Lenka; Kocovsky, Pavel; Schwarzova-Peckova, Karolina published the artcile< Voltammetry of 7-dehydrocholesterol as a new and useful tool for Smith-Lemli-Opitz syndrome diagnosis>, Related Products of 434-16-2, the main research area is 7-dehydrocholesterol; Artificial serum; Bare electrodes; Cholecalciferol; Voltammetry.

7-Dehydrocholesterol is an essential biomarker of Smith-Lemli-Opitz syndrome, a congenital autosomal recessive disorder. This study shows for the first time that electrochem. oxidation of 7-dehydrocholesterol can be used for its voltammetric determination Two classes of supporting electrolytes in acetonitrile and a mixture of acetonitrile-water were used: inorganic acids known to promote structural changes of steroids and indifferent electrolytes. Oxidation of 7-dehydrocholesterol at ca +0.8 V (vs. Ag/AgNO3 in acetonitrile) in 0.1 mol L-1 NaClO4 in acetonitrile is useful for its voltammetric detection using common bare electrode materials. Detection limits for 7-dehydrocholesterol lie in the low micromolar range for all the working electrodes, including boron-doped diamond (0.4 μmol L-1) and disposable thin-film platinum electrodes (0.5 μmol L-1), which are advantageous because of the low volumes of studied solutions After Bligh-Dyer extraction, quantification of 7-dehydrocholesterol concentration (boron-doped diamond) or concentration range (thin-film platinum) is easily attainable in artificial serum. The mere knowledge of the concentration range provides clin. valuable information, as 7-dehydrocholesterol levels are employed for SLOS diagnosis as a binary criterion (elevated, tens to hundreds μmol L-1 in symptomatic/non-elevated, typically bellow 1 μmol L-1 in healthy individuals in plasma). Moreover, it is shown that 7-dehydrocholesterol (provitamin D3) and cholecalciferol (vitamin D3) can be oxidized in 0.1 mol L-1 HClO4 in acetonitrile. Under these conditions, their voltammetric response changes dramatically, and their oxidation p.d. transiently increases from 0.08 V to 0.25 V, which should facilitate their simultaneous voltammetric determination This work constitutes a foundation for a reliable and straightforward method for Smith-Lemli-Opitz syndrome diagnosis and monitoring 7-dehydrocholesterol′s biotransformation to cholecalciferol.

Talanta published new progress about 434-16-2. 434-16-2 belongs to class alcohols-buliding-blocks, and the molecular formula is C27H44O, Related Products of 434-16-2.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Hou, Chih-Yao; Tain, You-Lin; Yu, Hong-Ren; Huang, Li-Tung published the artcile< The effects of resveratrol in the treatment of metabolic syndrome>, Electric Literature of 501-36-0, the main research area is resveratrol metabolic syndrome review; high-fat diet; metabolic syndrome; resveratrol; resveratrol derivatives.

A review. Resveratrol, also known as 3,5,4′-trihydroxystilbene, is a natural polyphenol that occurs as a phytoalexin. It is produced by plant sources such as grapes, apples, blueberries, plums, peanuts, and other oilseeds. This compound has a variety of effects on human health and diseases. This review summarizes the mounting evidence that resveratrol is helpful in treating metabolic syndrome and related disorders. Resveratrol can be provided either early as a reprogramming agent or later as part of treatment. A few of the main mechanisms underlying the beneficial effects of resveratrol on metabolic syndrome are outlined. This review also discusses the potential of resveratrol derivatives as a complementary or alternative medicine. In conclusion, resveratrol could be a useful regimen for the prevention and treatment of metabolic syndrome and its related conditions.

International Journal of Molecular Sciences published new progress about Cardiovascular disease. 501-36-0 belongs to class alcohols-buliding-blocks, and the molecular formula is C14H12O3, Electric Literature of 501-36-0.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Huang, Shuang; Hong, Xi; Cui, He-Zhen; Zhan, Bing; Li, Zhi-Ming; Hou, Xiu-Feng published the artcile< Bimetallic Bis-NHC-Ir(III) Complex Bearing 2-Arylbenzo[d]oxazolyl Ligand: Synthesis, Catalysis, and Bimetallic Effects>, COA of Formula: C7H9NO, the main research area is potential energy surface iridacycle complex catalyzed methylation aniline DFT; bimetallic biscarbene iridium complex containing arylbenzooxazolyl ligand preparation catalyst; crystal structure bimetallic biscarbene iridium complex containing arylbenzooxazolyl ligand; mol structure bimetallic biscarbene iridium complex containing arylbenzooxazolyl ligand; isotope effect iridium carbene complex catalyzed methylation aniline.

Herein, an unprecedented bimetallic bis-NHC Cp*Ir complex 1 bearing 2-arylbenzo[d]oxazolyl and NHC ligands is reported. A significantly increase in activity was observed for N-methylation of amines and reduction of aldehydes with MeOH catalyzed by 1 compared to the monometallic analogs (2-11). Under the optimal conditions, it showed to be highly effective in N-methylation of nitroarenes with MeOH as both C1 and H2 source. Substrates, including aromatic amines, ketones and nitro compounds with various functional groups, can be well tolerated. Mechanistic studies and DFT calculation highlights the significance of bimetallic centers cooperativity.

Organometallics published new progress about Anilines Role: SPN (Synthetic Preparation), PREP (Preparation) (N-Me). 5344-90-1 belongs to class alcohols-buliding-blocks, and the molecular formula is C7H9NO, COA of Formula: C7H9NO.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Haydl, Alexander M.; Hartwig, John F. published the artcile< Palladium-Catalyzed Methylation of Aryl, Heteroaryl, and Vinyl Boronate Esters>, Application In Synthesis of 660867-80-1, the main research area is palladium catalyzed methylation aryl heteroaryl boronate ester iodomethane; methylated arene heterocycle preparation palladium catalyzed methylation.

A method for the direct methylation of aryl, heteroaryl, and vinyl boronate esters is reported, involving the reaction of iodomethane with aryl-, heteroaryl-, and vinylboronate esters catalyzed by palladium and PtBu2Me. This transformation occurs with a remarkably broad scope and is suitable for late-stage derivatization of biol. active compounds via the boronate esters. The unique capabilities of this method are demonstrated by combining carbon-boron bond-forming reactions with palladium-catalyzed methylation in a tandem transformation.

Organic Letters published new progress about Aromatic hydrocarbons Role: SPN (Synthetic Preparation), PREP (Preparation) (methylated). 660867-80-1 belongs to class alcohols-buliding-blocks, and the molecular formula is C12H18BNO2, Application In Synthesis of 660867-80-1.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Kennedy, Cassandra R.; Goya Grocin, Andrea; Kovacic, Tristan; Singh, Ravi; Ward, Jennifer A.; Shenoy, Avinash R.; Tate, Edward W. published the artcile< A Probe for NLRP3 Inflammasome Inhibitor MCC950 Identifies Carbonic Anhydrase 2 as a Novel Target>, Reference of 25055-82-7, the main research area is photoaffinity probe preparation CA2 target inflammasome inhibitor MCC950 inflammation.

Inhibition of inflammasome and pyroptotic pathways are promising strategies for clin. treatment of autoimmune and inflammatory disorders. MCC950, a potent inhibitor of the NLR-family inflammasome pyrin domain-containing 3 (NLRP3) protein, has shown encouraging results in animal models for a range of conditions; however, until now, no off-targets have been identified. Herein, we report the design, synthesis, and application of a novel photoaffinity alkyne-tagged probe for MCC950 (IMP2070) which shows direct engagement with NLRP3 and inhibition of inflammasome activation in macrophages. Affinity-based chem. proteomics in live macrophages identified several potential off-targets, including carbonic anhydrase 2 (CA2) as a specific target of IMP2070, and independent cellular thermal proteomic profiling revealed stabilization of CA2 by MCC950. MCC950 displayed noncompetitive inhibition of CA2 activity, confirming carbonic anhydrase as an off-target class for this compound These data highlight potential biol. mechanisms through which MCC950 and derivatives may exhibit off-target effects in preclin. or clin. studies.

ACS Chemical Biology published new progress about Anti-inflammatory agents (potential as). 25055-82-7 belongs to class alcohols-buliding-blocks, and the molecular formula is C4H8N2O, Reference of 25055-82-7.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts