Month: December 2022

Yu, Renchao published the artcileBaicalin promotes cholesterol efflux by regulating the expression of SR-BI in macrophages, Recommanded Product: [(2-Hexylcyclopentylidene)amino]thiourea, the publication is Experimental and Therapeutic Medicine (2016), 12(6), 4113-4120, database is CAplus and MEDLINE.

Intake of a high dosage of baicalin has previously been shown to attenuate hyperlipidemia induced by a high-fat diet. Baicalin functions as an activator of peroxisome proliferator-activated receptor-γ (PPAR-γ), which is the key regulator of reverse cholesterol transport (RCT). The present study aimed to test the hypothesis that baicalin could promote cholesterol efflux in macrophages through activating PPAR-γ. Phorbol 12-myristate 13-acetate-stimulated THP-1 cells were treated with oxidized low-d. lipoprotein and (3H)-cholesterol for 24 h, and the effects of baicalin on cholesterol efflux were evaluated in the presence of apolipoprotein A-1 (ApoA-1), or high-d. lipoprotein subfraction 2 (HDL2) or subfraction 3 (HDL3). The expression levels of scavenger receptor class B type I (SR-BI), PPAR-γ and liver X receptor-α (LXRα) were detected and specific inhibitors or activators of SR-BI, PPAR-γ and LXRα were applied to investigate the mechanism. Treatment of THP-1 macrophages with baicalin significantly accelerated HDL-mediated, but not ApoA-1-mediated cholesterol efflux. However, baicalin treatment increased the expression of SR-BI at the mRNA and protein levels in a dose- and time-dependent manner, and pre-treatment with the SR-BI inhibitor BLT-1 and SR-BI small interfering RNA significantly inhibited baicalin-induced cholesterol efflux. Furthermore, baicalin increased the expression of PPAR-γ and LXRα, and the application of specific agonists and inhibitors of PPAR-γ and LXRα changed the expression of SR-BI, as well as cholesterol efflux. It may be concluded that baicalin induced cholesterol efflux from THP-1 macrophages via the PPAR-γ/LXRα/SR-BI pathway.

Experimental and Therapeutic Medicine published new progress about 321673-30-7. 321673-30-7 belongs to amides-buliding-blocks, auxiliary class Immunology/Inflammation,Scavenger receptor, name is [(2-Hexylcyclopentylidene)amino]thiourea, and the molecular formula is C20H21ClN4O4, Recommanded Product: [(2-Hexylcyclopentylidene)amino]thiourea.

Referemce:
https://en.wikipedia.org/wiki/Amide,
Amide – an overview | ScienceDirect Topics

Yang, Peng published the artcileBiodegradable polycaprolactone metallopolymer-antibiotic bioconjugates containing phenylboronic acid and cobaltocenium for antimicrobial application, Formula: C16H20BNO3, the publication is Biomaterials Science (2021), 9(21), 7237-7246, database is CAplus and MEDLINE.

This paper reports antimicrobial metallopolymers containing biodegradable polycaprolactone as the backbone with boronic acid and cobaltocenium as the side chain. While boronic acid promotes interactions with bacterial cells via boronolectin with lipopolysaccharides, cationic cobaltocenium facilitates the unique complexation with anionic β-lactam antibiotics. The synergistic interactions in these metallopolymer-antibiotic bioconjugates were evidenced by re-sensitized efficacy of penicillin-G against four different Gram-neg. bacteria (E. coli, P. vulgaris, P. aeruginosa and K. pneumoniae). The degradability of the polyester backbone was validated through tests under physiol. pH (7.4) and acidic pH (5.5) or under enzymic conditions. These metallopolymers exhibited time-dependent uptake and reduction of cobalt metals in different organs of mice via in vivo absorption, distribution, metabolism, and excretion (ADME) tests.

Biomaterials Science published new progress about 1357387-28-0. 1357387-28-0 belongs to amides-buliding-blocks, auxiliary class Alkynyl,Boronic acid and ester,Amine,Benzene,Amide,Boronic Acids,Boronate Esters,, name is N-(Prop-2-yn-1-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide, and the molecular formula is C6H6N2O, Formula: C16H20BNO3.

Referemce:
https://en.wikipedia.org/wiki/Amide,
Amide – an overview | ScienceDirect Topics

Wang, Min published the artcileApolipoprotein M induces inhibition of inflammatory responses via the S1PR1 and DHCR24 pathways, Related Products of amides-buliding-blocks, the publication is Molecular Medicine Reports (2019), 19(2), 1272-1283, database is CAplus and MEDLINE.

Apolipoprotein M (ApoM) is a type of apolipoprotein. It is well known that high-d. lipoprotein (HDL) decreases inflammatory responses via the apoM-sphingosine-1-phosphate (S1P) pathway. The present study further investigated the importance of ApoM in the inhibitory effects of HDL on inflammation. Furthermore, cell culture experiments were performed using a permanent human hybrid endothelial cell line (EA.hy926). In cell culture experiments, when cells were pre-cultured with rec-apoM or were engineered to overexpress apoM (apoMTg), they exhibited decreased expression levels of IL-1beta and MCP-1 following TNF-a treatment compared with in normal apoM-expressing cells (apoMTgN) Furthermore, the mRNA expression levels of IL-1beta and MCP-1 were significantly elevated following addition of the S1PR1 inhibitor W146, but not by the scavenger receptor class B type I inhibitor, block lipid transport-1 (BLT-1), in apoMTg cells prior to TNF-a treatment. Conversely, there were no differences in these inflammatory biomarkers under the same conditions in apoMTgN cells. The mRNA expression levels of DHCR24 were significantly reduced by the addition of BLT-1 prior to TNF-a treatment in apoMTg cells; however, there was no difference in the expression of this inflammatory biomarker in apoMTgN cells. In conclusion, ApoM displayed inhibitory effects against the inflammatory response in vivo and in vitro; these effects may be induced via the S1PR1 and DHCR24 pathways.

Molecular Medicine Reports published new progress about 321673-30-7. 321673-30-7 belongs to amides-buliding-blocks, auxiliary class Immunology/Inflammation,Scavenger receptor, name is [(2-Hexylcyclopentylidene)amino]thiourea, and the molecular formula is C8H8O3, Related Products of amides-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Amide,
Amide – an overview | ScienceDirect Topics

Yoshimura, Akira published the artcile(Tosylimino)phenyl-λ³-iodane as a reagent for the synthesis of methyl carbamates via Hofmann rearrangement of aromatic and aliphatic carboxamides, Name: 2,4-Dichlorobenzamide, the publication is Journal of Organic Chemistry (2012), 77(4), 2087-2091, database is CAplus and MEDLINE.

A mild procedure for the Hofmann rearrangement of aromatic and aliphatic carboxamides using (tosylimino)phenyl-λ³-iodane, PhINTs, as a reagent is reported. Because of the mild reaction conditions, this method is particularly useful for the Hofmann rearrangement of substituted benzamides, which usually afford complex reaction mixtures with other hypervalent iodine oxidants. The mild reaction conditions and high selectivity in the reaction of carboxamides with PhINTs allow the isolation of the initially formed labile isocyanates or their subsequent conversion to stable carbamates by treatment with alcs.

Journal of Organic Chemistry published new progress about 2447-79-2. 2447-79-2 belongs to amides-buliding-blocks, auxiliary class Chloride,Amine,Benzene,Amide, name is 2,4-Dichlorobenzamide, and the molecular formula is C18H35NO, Name: 2,4-Dichlorobenzamide.

Referemce:
https://en.wikipedia.org/wiki/Amide,
Amide – an overview | ScienceDirect Topics

Zhang, Cong published the artcileCelecoxib attenuates hepatosteatosis by impairing de novo lipogenesis via Akt-dependent lipogenic pathway., Computed Properties of 169590-42-5, the publication is Journal of cellular and molecular medicine (2022), 26(14), 3995-4006, database is MEDLINE.

Mounting evidence indicates that hepatic de novo lipogenesis is a common abnormality in non-alcoholic fatty liver disease (NAFLD) patients. We investigated whether a selective COX-2 inhibitor, celecoxib, alleviates hepatic steatosis by targeting an Akt-driven lipogenic pathway. We estimated the efficacy of celecoxib in a novel Akt-driven NAFLD mouse model established via hydrodynamic transfection of activated forms of AKT and in fructose-fed NAFLD mice that exhibited increased insulin-independent hepatic lipogenesis. AKT-transfected and insulin-stimulated human hepatoma cells were used for the in vitro experiments. Haematoxylin and eosin staining, immunohistochemistry and immunoblotting were performed for mechanistic studies. The results revealed that celecoxib ameliorated hepatic steatosis in the AKT-triggered NAFLD mice. Mechanistically, celecoxib effectively suppressed AKT/mTORC1 signalling and its downstream lipogenic cascade in the Akt-driven NAFLD mice and in vitro. Furthermore, celecoxib had limited efficacy in alleviating hepatic lipid accumulation and showed no influence on lipogenic proteins associated with hepatic lipogenesis in fructose-administered mice. This study suggests that celecoxib may be favourable for the treatment of NAFLD, especially in the subset with Akt-triggered hepatic lipogenesis.

Journal of cellular and molecular medicine published new progress about 169590-42-5. 169590-42-5 belongs to amides-buliding-blocks, auxiliary class Sulfamide,Immunology/Inflammation,COX, name is 4-(5-(p-Tolyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzenesulfonamide, and the molecular formula is C7H7ClN2S, Computed Properties of 169590-42-5.

Referemce:
https://en.wikipedia.org/wiki/Amide,
Amide – an overview | ScienceDirect Topics

Zha, Yonghong published the artcileDual-Modal Immunosensor with Functionalized Gold Nanoparticles for Ultrasensitive Detection of Chloroacetamide Herbicides, Safety of 2-Chloroacetamide, the publication is ACS Applied Materials & Interfaces (2021), 13(5), 6091-6098, database is CAplus and MEDLINE.

Convenient and ultrasensitive detection of pesticides is demanded for healthcare and environmental monitoring, which can be realized with a dual-modal strategy. In this paper, based on a biotin-labeled IgG-modified gold nanoparticle (AuNP@IgG-bio) probe, a dual-modal immunosensor was proposed for detecting chloroacetamide herbicides. This platform is relied on the dephosphorylation of ascorbic acid 2-phosphate (AA2P) by alk. phosphatase (ALP). In addition to this process, ascorbic acid (AA)-triggered deposition of silver on gold nanostars (AuNSs) and the fluorogenic reaction of dehydrogenated AA and o-phenylenediamine (OPD) occur sequentially. Thus, the dual readout of the color change of red-green-blue (RGB) and fluorescence generation in situ induced by crystal growth can be used. The limits of detection (LODs) were as low as 1.20 ng/mL of acetochlor (ATC), 0.89 ng/mL of metolachlor, 1.22 ng/mL of propisochlor, and 0.99 ng/mL of their mixture by a smartphone and 0.44 ng/mL of ATC, 1.59 ng/mL of metolachlor, 2.80 ng/mL of propisochlor, and 0.72 ng/mL of their mixture by a spectrofluorometer. The recoveries from corn were 91.4-105.1% of the colorimetric mode and 92.4-106.2% of the fluorescent mode. Due to its simple observation mode and good performance, this dual-modal immunosensor possesses considerable application prospects.

ACS Applied Materials & Interfaces published new progress about 79-07-2. 79-07-2 belongs to amides-buliding-blocks, auxiliary class Chloride,Amine,Aliphatic hydrocarbon chain,Amide,Inhibitor, name is 2-Chloroacetamide, and the molecular formula is C5H5ClO2, Safety of 2-Chloroacetamide.

Referemce:
https://en.wikipedia.org/wiki/Amide,
Amide – an overview | ScienceDirect Topics

Wu, Ye published the artcileStapled Wasp Venom-Derived Oncolytic Peptides with Side Chains Induce Rapid Membrane Lysis and Prolonged Immune Responses in Melanoma, Recommanded Product: H-Lys(Boc)-OH, the publication is Journal of Medicinal Chemistry (2021), 64(9), 5802-5815, database is CAplus and MEDLINE.

Peptide stapling chem. represents an attractive strategy to promote the clin. translation of protein epitope mimetics, but its use has not been applied to natural cytotoxic peptides (NCPs) to produce new oncolytic peptides. Based on a wasp venom peptide, a series of stapled anoplin peptides (StAnos) were prepared The optimized stapled Ano-3/3s were shown to be protease-resistant and exerted superior tumor cell-selective cytotoxicity by rapid membrane disruption. In addition, Ano-3/3s induced tumor ablation in mice through the direct oncolytic effect and subsequent stimulation of immunogenic cell death. This synergistic oncolytic-immunotherapy effect is more remarkable on melanoma than on triple-neg. breast cancer in vivo. The efficacies exerted by Ano-3/3s on melanoma were further characterized by CD8+ T cell infiltration, and the addition of anti-CD8 antibodies diminished the long-term antitumor effects. In summary, these results support stapled peptide chem. as an advantageous method to enhance the NCP potency for oncolytic therapy.

Journal of Medicinal Chemistry published new progress about 2418-95-3. 2418-95-3 belongs to amides-buliding-blocks, auxiliary class Chiral,Carboxylic acid,Amine,Aliphatic hydrocarbon chain,Ester,Amino acide derivatives, name is H-Lys(Boc)-OH, and the molecular formula is C15H21BO3, Recommanded Product: H-Lys(Boc)-OH.

Referemce:
https://en.wikipedia.org/wiki/Amide,
Amide – an overview | ScienceDirect Topics

Urbina, Fabio published the artcileMegaSyn: Integrating Generative Molecular Design, Automated Analog Designer, and Synthetic Viability Prediction, Application of 4-(5-(p-Tolyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzenesulfonamide, the publication is ACS Omega (2022), 7(22), 18699-18713, database is CAplus and MEDLINE.

Generative machine learning models have become widely adopted in drug discovery and other fields to produce new mols. and explore mol. space, with the goal of discovering novel compounds with optimized properties. These generative models are frequently combined with transfer learning or scoring of the physicochem. properties to steer generative design, yet often, they are not capable of addressing a wide variety of potential problems, as well as converge into similar mol. space when combined with a scoring function for the desired properties. In addition, these generated compounds may not be synthetically feasible, reducing their capabilities and limiting their usefulness in real-world scenarios. Here, we introduce a suite of automated tools called MegaSyn representing three components: a new hill-climb algorithm, which makes use of SMILES-based recurrent neural network (RNN) generative models, analog generation software, and retrosynthetic anal. coupled with fragment anal. to score mols. for their synthetic feasibility. We show that by deconstructing the targeted mols. and focusing on substructures, combined with an ensemble of generative models, MegaSyn generally performs well for the specific tasks of generating new scaffolds as well as targeted analogs, which are likely synthesizable and druglike. We now describe the development, benchmarking, and testing of this suite of tools and propose how they might be used to optimize mols. or prioritize promising lead compounds using these RNN examples provided by multiple test case examples.

ACS Omega published new progress about 169590-42-5. 169590-42-5 belongs to amides-buliding-blocks, auxiliary class Sulfamide,Immunology/Inflammation,COX, name is 4-(5-(p-Tolyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzenesulfonamide, and the molecular formula is C15H12O6, Application of 4-(5-(p-Tolyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzenesulfonamide.

Referemce:
https://en.wikipedia.org/wiki/Amide,
Amide – an overview | ScienceDirect Topics

Urbina, Fabio published the artcileMegaSyn: Integrating Generative Molecular Design, Automated Analog Designer, and Synthetic Viability Prediction, Synthetic Route of 137862-53-4, the publication is ACS Omega (2022), 7(22), 18699-18713, database is CAplus and MEDLINE.

Generative machine learning models have become widely adopted in drug discovery and other fields to produce new mols. and explore mol. space, with the goal of discovering novel compounds with optimized properties. These generative models are frequently combined with transfer learning or scoring of the physicochem. properties to steer generative design, yet often, they are not capable of addressing a wide variety of potential problems, as well as converge into similar mol. space when combined with a scoring function for the desired properties. In addition, these generated compounds may not be synthetically feasible, reducing their capabilities and limiting their usefulness in real-world scenarios. Here, we introduce a suite of automated tools called MegaSyn representing three components: a new hill-climb algorithm, which makes use of SMILES-based recurrent neural network (RNN) generative models, analog generation software, and retrosynthetic anal. coupled with fragment anal. to score mols. for their synthetic feasibility. We show that by deconstructing the targeted mols. and focusing on substructures, combined with an ensemble of generative models, MegaSyn generally performs well for the specific tasks of generating new scaffolds as well as targeted analogs, which are likely synthesizable and druglike. We now describe the development, benchmarking, and testing of this suite of tools and propose how they might be used to optimize mols. or prioritize promising lead compounds using these RNN examples provided by multiple test case examples.

ACS Omega published new progress about 137862-53-4. 137862-53-4 belongs to amides-buliding-blocks, auxiliary class GPCR/G Protein,Angiotensin Receptor, name is (S)-2-(N-((2′-(1H-Tetrazol-5-yl)-[1,1′-biphenyl]-4-yl)methyl)pentanamido)-3-methylbutanoic acid, and the molecular formula is C19H17N2NaO4S, Synthetic Route of 137862-53-4.

Referemce:
https://en.wikipedia.org/wiki/Amide,
Amide – an overview | ScienceDirect Topics

Thompson, Mark J. published the artcileImproved 2,4-Diarylthiazole-Based Antiprion Agents: switching the Sense of the Amide Group at C5 Leads to an Increase in Potency, COA of Formula: C8H9NOS, the publication is ChemMedChem (2010), 5(9), 1476-1488, database is CAplus and MEDLINE.

Amide derivatives of 2,4-diarylthiazole-5-carboxylic acids were synthesized and tested for efficacy in a cell line model of prion disease. A number of compounds demonstrating antiprion activity were thereby identified from the screening libraries, showing improved potency and reproducibility of results relative to amide derivatives of the related 2,4-diphenyl-5-aminothiazole, which have been documented previously. Thus, ‘switching’ the sense of the amide bond at thiazole C5 revealed a more promising lead series of potential prion disease therapeutics. Furthermore, 3,5-diaryl-1,2,4-thiadiazoles isolated as byproducts during library synthesis provided a handful of addnl. examples possessing an antiprion effect, thereby augmenting the set of newly identified active compounds Evaluation of binding to cellular prion protein (PrP^C) showed only weak affinities at best, suggesting that the newly identified antiprion agents do not mediate their biol. effect through direct interaction with PrP^C.

ChemMedChem published new progress about 64559-06-4. 64559-06-4 belongs to amides-buliding-blocks, auxiliary class Amine,Benzene,Amide,Ether, name is 3-Methoxybenzothioamide, and the molecular formula is C7H11N, COA of Formula: C8H9NOS.

Referemce:
https://en.wikipedia.org/wiki/Amide,
Amide – an overview | ScienceDirect Topics