Month: November 2022

Identification of new antiviral agents against Kaposi’s sarcoma-associated herpesvirus (KSHV) by high-throughput drug screening reveals the role of histamine-related signaling in promoting viral lytic reactivation was written by Chen, Jungang;Dai, Lu;Goldstein, Alana;Zhang, Haiwei;Tang, Wei;Forrest, J. Craig;Post, Steven R.;Chen, Xulin;Qin, Zhiqiang. And the article was included in PLoS Pathogens in 2019.Recommanded Product: 103-16-2 The following contents are mentioned in the article:

In this study, we have established a high-throughput screening assay by using an inducible KSHV+ cell-line, iSLK.219. After screening a compound library that consisted of 1280 Food and Drug Administration (FDA)-approved drugs, 15 hit compounds that effectively inhibited KSHV virion production were identified, most of which have never been reported with anti-KSHV activities. Interestingly, 3 of these drugs target histamine receptors or signaling. Our data further confirmed that antagonists targeting different histamine receptors (HxRs) displayed excellent inhibitory effects on KSHV lytic replication from induced iSLK.219 or BCBL-1 cells. In contrast, histamine and specific agonists of HxRs promoted viral lytic replication from induced iSLK.219 or KSHVinfected primary cells. Mechanistic studies indicated that downstream MAPK and PI3K/Akt signaling pathways were required for histamine/receptors mediated promotion of KSHV lytic replication. Direct knockdown of HxRs in iSLK.219 cells effectively blocked viral lytic gene expression during induction. Using samples from a cohort of HIV+ patients, we found that the KSHV+ group has much higher levels of histamine in their plasma and saliva than the KSHV- group. Taken together, our data have identified new anti-KSHV agents and provided novel insights into the mol. bases of host factors that contribute to lytic replication and reactivation of this oncogenic herpesvirus. This study involved multiple reactions and reactants, such as 4-Benzyloxyphenol (cas: 103-16-2Recommanded Product: 103-16-2).

4-Benzyloxyphenol (cas: 103-16-2) belongs to ethers. Esters typically have a pleasant smell; those of low molecular weight are commonly used as fragrances and are found in essential oils and pheromones. Cyclic esters are called lactones, regardless of whether they are derived from an organic or inorganic acid. One example of an organic lactone is γ-valerolactone.Recommanded Product: 103-16-2

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Study the lipidoid nanoparticle mediated genome editing protein delivery using 3D intestinal tissue model was written by Yang, Tao;Han, Haobo;Chen, Ying;Yang, Liu;Parker, Rachael;Li, Yamin;Kaplan, David L.;Xu, Qiaobing. And the article was included in Bioactive Materials in 2021.Safety of 2-Methoxyethylamine The following contents are mentioned in the article:

Lipid nanoparticles are promising carriers for oral drug delivery. For bioactive cargos with intracellular targets, e.g. gene-editing proteins, it is essential for the cargo and carrier to remain complexed after crossing the epithelial layer of intestine in order for the delivery system to transport the cargos inside targeted cells. However, limited studies have been conducted to verify the integrity of cargo/carrier nanocomplexes and their capability in facilitating cargo delivery intracellularly after the nanocomplex crossing the epithelial barrier. Herein, we used a traditional 2D transwell system and a recently developed 3D tissue engineered intestine model and demonstrated the synthetic lipid nanoparticle (carrier) and protein (cargo) nanocomplexes are able to cross the epithelial layer and deliver the protein cargo inside the underneath cells. We found that the EC16-63 LNP efficiently encapsulated the GFP-Cre recombinase, penetrated the intestinal monolayer cells in both the 2D cell culture and 3D tissue models through temporarily interrupting the tight junctions between epithelial layer. After transporting across the intestinal epithelia, the EC16-63 and GFP-Cre recombinase nanocomplexes can enter the underneath cells to induce gene recombination. These results suggest that the in vitro 3D intestinal tissue model is useful for identifying effective lipid nanoparticles for potential oral drug delivery. This study involved multiple reactions and reactants, such as 2-Methoxyethylamine (cas: 109-85-3Safety of 2-Methoxyethylamine).

2-Methoxyethylamine (cas: 109-85-3) belongs to ethers. Esters are widespread in nature and are widely used in industry. In nature, fats are in general triesters derived from glycerol and fatty acids. Esters are responsible for the aroma of many fruits. Esters contain a carbonyl center, which gives rise to 120° C–C–O and O–C–O angles. Unlike amides, esters are structurally flexible functional groups because rotation about the C–O–C bonds has a low barrier. Their flexibility and low polarity is manifested in their physical properties; they tend to be less rigid (lower melting point) and more volatile (lower boiling point) than the corresponding amides. Safety of 2-Methoxyethylamine

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Solid State Inclusion of the Nonionic Surfactant C₁₂E₄ in β-Cyclodextrin, at Various Humidities: A Combined Raman and ¹³C CP MAS NMR Study was written by Cunha-Silva, Luis;Teixeira-Dias, Jose J. C.. And the article was included in Journal of Physical Chemistry B in 2002.Synthetic Route of C10H22O3 The following contents are mentioned in the article:

The inclusion of the nonionic surfactant α-n-dodecyl-ω-hydroxytetra(oxyethylene), C₁₂E₄, in β-cyclodextrin (β-CD), was prepared in the solid state and its structure characterized by powder x-ray diffraction, thermogravimetry, and Raman and ¹³C CP/MAS NMR spectroscopies. Stepwise dehydration was observed in the thermogram, indicating the presence of energetically distinct water mols. Comparison of the dispersions of ¹³C chem. shift values for C1 and C4 atoms of the β-CD macrocycle, within a series of inclusion compounds of C_nE_m homologues, reveals a rather complete symmetrization of the β-CD macrocycle, and the dispersions of ¹³C shifts for C6 atoms point to the particular sensitivity of these atoms to hydrogen-bonding type of interactions. The integrated intensity of the O-H Raman stretching band for the β-CD inclusion compound of C₁₂E₄ is approx. constant for humidities between 20% and 80%. In passing from 15% to 20% of humidity, one observes abrupt relative intensity variations of some Raman bands, in particular at 926 cm^-1, and the sudden decrease of the dispersions of ¹³C chem. shift values for all carbon atoms of the β-CD macrocycle. Overall, the above findings converge to stress the structural relevance of hydration water in the β-CD inclusion compound of C₁₂E₄. This study involved multiple reactions and reactants, such as 2-(2-(Hexyloxy)ethoxy)ethanol (cas: 112-59-4Synthetic Route of C10H22O3).

2-(2-(Hexyloxy)ethoxy)ethanol (cas: 112-59-4) belongs to ethers. Esters are widespread in nature and are widely used in industry. In nature, fats are in general triesters derived from glycerol and fatty acids. Esters are responsible for the aroma of many fruits, including apples, durians, pears, bananas, pineapples, and strawberries. Liquid esters of low volatility serve as softening agents for resins and plastics. Esters also include many industrially important polymers. Polymethyl methacrylate is a glass substitute sold under the names Lucite and Plexiglas; polyethylene terephthalate is used as a film (Mylar) and as textile fibres sold as Terylene, Fortrel, and Dacron.Synthetic Route of C10H22O3

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

TOC removal of diethylene glycol mono-n-hexyl ether synthetic wastewater and 1,4-butanediol diglycidyl ether synthetic wastewater with H₂O₂/UV in a batch reactor was written by Hou, Wei-Jie;Tsuneda, Satoshi;Hirata, Akira. And the article was included in Journal of Chemical Engineering of Japan in 2001.Category: ethers-buliding-blocks The following contents are mentioned in the article:

Removal of diethylene glycol mono-n-hexyl ether (DGME) or 1,4-butanediol diglycidyl ether (BDE) from wastewater by H₂O₂/UV was studied. Experiments were carried out in a batch reactor with a low pressure UV lamp (500 W) irradiating UV at 254 nm and at 185 nm (5% of energy). Complete TOC removals were obtained. TOC removals were pseudo-1st-order processes. The removal rates of TOC were governed by the concentration of H₂O₂ added initially and the maximum pseudo-1st-order rate constant and the optimum initial H₂O₂ concentration existed both in the wastewater. The relation between the initial TOC concentration and the optimum initial H₂O₂ concentration exhibited linear in both wastewaters. The optimum initial H₂O₂ concentration in the TOC removal of the BDE wastewater is higher than that of the DGME wastewater at a given initial TOC concentration The maximum pseudo-1st-order rate constant increases with the decrease in the initial TOC concentration in both wastewaters. The maximum pseudo-1st-order rate constant for the DGME wastewater is higher than that for the BDE wastewater at a given initial TOC concentration The exptl. results agree well with the theor. consideration which has been previously proposed by authors when H₂O₂ and TOC concentrations in the wastewater were very high. This study involved multiple reactions and reactants, such as 2-(2-(Hexyloxy)ethoxy)ethanol (cas: 112-59-4Category: ethers-buliding-blocks).

2-(2-(Hexyloxy)ethoxy)ethanol (cas: 112-59-4) belongs to ethers. Esters are widespread in nature and are widely used in industry. In nature, fats are in general triesters derived from glycerol and fatty acids. Esters are responsible for the aroma of many fruits, including apples, durians, pears, bananas, pineapples, and strawberries. Esters contain a carbonyl center, which gives rise to 120° C–C–O and O–C–O angles. Unlike amides, esters are structurally flexible functional groups because rotation about the C–O–C bonds has a low barrier. Their flexibility and low polarity is manifested in their physical properties; they tend to be less rigid (lower melting point) and more volatile (lower boiling point) than the corresponding amides. Category: ethers-buliding-blocks

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Morphologies of three-phase emulsions of the ternary nonionic amphiphile/oil/water systems and their determination by electrical method was written by Lee, Jong-Moon;Shin, Hong-Ju;Lim, Kyung-Hee. And the article was included in Journal of Colloid and Interface Science in 2003.Electric Literature of C10H22O3 The following contents are mentioned in the article:

Equations were developed for the elec. and thermal conductivities of dispersions of 2 different phases of low conductivity in a 3rd, conductive phase. These equations predict the conductivity of the dispersion from the volume fractions and conductivities of the constituent phases. Elec. conductivity measurements on dispersions of 3 liquid phases, i.e., 3-phase emulsions, were made over a wide range of volume fractions of each dispersed phase and used to test the equations. The equations predict accurately dispersion conductivities from the measured volume fractions and conductivities of the constituent phases without any adjustable parameters. The predicted values are in excellent agreement with the measured conductivities of 3-phase emulsions in the nonionic amphiphile/oil/H₂O systems. This leads to the determination of 3-phase emulsion morphologies. When the ratio K_d of the emulsion-drop conductivity to the continuous phase conductivity is O(10^-1)<K_d<1, the elec. method yields the correct morphol. When K_d≪1, the equations predicted several morphologies, but the correct morphol. can be chosen when the data are supplemented by another method such as microscopy. The elec. method, which is a combination of conductivity measurements and their fits to the equations, was proven to be effective and reliable in determination of 3-phase dispersion morphologies. This study involved multiple reactions and reactants, such as 2-(2-(Hexyloxy)ethoxy)ethanol (cas: 112-59-4Electric Literature of C10H22O3).

2-(2-(Hexyloxy)ethoxy)ethanol (cas: 112-59-4) belongs to ethers. Esters typically have a pleasant smell; those of low molecular weight are commonly used as fragrances and are found in essential oils and pheromones. Esterification is the general name for a chemical reaction in which two reactants (typically an alcohol and an acid) form an ester as the reaction product. Esters are common in organic chemistry and biological materials.Electric Literature of C10H22O3

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Target fishing and docking studies of the novel derivatives of aryl-aminopyridines with potential anticancer activity was written by Eric, Slavica;Ke, Song;Barata, Teresa;Solmajer, Tom;Antic Stankovic, Jelena;Juranic, Zorica;Savic, Vladimir;Zloh, Mire. And the article was included in Bioorganic & Medicinal Chemistry in 2012.Product Details of 562085-85-2 The following contents are mentioned in the article:

A set of 16 previously synthesized aryl-aminopyridine and aryl-aminoquinoline derivatives have been evaluated for cytotoxic activity against three cancer cell lines (human cervical cancer-HeLa; human chronic myeloid leukemia-K562; human melanoma-Fem-x) and two types of normal peripheral blood mononuclear cells, with and without phytohemagglutinin (PBMC – PHA; PBMC + PHA). Twelve of the studied compounds showed moderate cytotoxicity, with selectivity against K562 but not the remaining two cancer cell lines. Four compounds were not active in cytotoxicity assays, presumably due to high predicted lipophilicity and low solubility To rationalize the observed cytotoxic effects, structure-based virtual screening was carried out against a pool of potential targets constructed using the inverse docking program Tarfisdock and bibliog. references The putative targets were identified on the basis of the best correlation between docking scores and in vitro cytotoxicity. It is proposed that the mechanism of action of the studied aminopyridines involves the disruption of signaling pathways and cancer cell cycle through the inhibition of cyclin-dependent kinases and several tyrosine kinases, namely Bcr-Abl kinase and KIT receptor kinase. The obtained results can guide further structural modifications of the studied compounds aimed at developing selective agents targeting proteins involved in cancer cell survival and proliferation. This study involved multiple reactions and reactants, such as N-(4-Methoxyphenyl)pyridin-3-amine (cas: 562085-85-2Product Details of 562085-85-2).

N-(4-Methoxyphenyl)pyridin-3-amine (cas: 562085-85-2) belongs to ethers. Esters are widespread in nature and are widely used in industry. In nature, fats are in general triesters derived from glycerol and fatty acids. Esters are responsible for the aroma of many fruits. Cyclic esters are called lactones, regardless of whether they are derived from an organic or inorganic acid. One example of an organic lactone is γ-valerolactone.Product Details of 562085-85-2

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Discovery and biological evaluation of phthalazines as novel non-kinase TGFβ pathway inhibitors was written by Kharbanda, Anupreet;Zhang, Lingtian;Saha, Debasmita;Tran, Phuc;Xu, Ke;Li, Ming O.;Leung, Yuet-Kin;Frett, Brendan;Li, Hong-yu. And the article was included in European Journal of Medicinal Chemistry in 2021.COA of Formula: C3H9NO The following contents are mentioned in the article:

TGFβ is crucial for the homeostasis of epithelial and neural tissues, wound repair, and regulating immune responses. Its dysregulation is associated with a vast number of diseases, of which modifying the tumor microenvironment is one of vital clin. interest. Despite various attempts, there is still no FDA-approved therapy to inhibit the TGFβ pathway. Major mainstream approaches involve impairment of the TGFβ pathway via inhibition of the TGFβRI kinase. With the purpose to identify non-receptor kinase-based inhibitors to impair TGFβ signaling, an inhouse chem. library was enriched, through a computational study, to eliminate TGFβRI kinase activity. Selected compounds were screened against a cell line engineered with a firefly luciferase gene under TGFβ-Smad-dependent transcriptional control. Results indicated moderate potency for a mol. with phthalazine core against TGFβ-Smad signaling. A series of phthalazine compounds were synthesized and evaluated for potency. The most promising compound I exhibited an IC₅₀ of 0.11 ± 0.02μM and was confirmed to be non-cytotoxic up to 12μM, with a selectivity index of approx. 112-fold. Simultaneously, I was confirmed to reduce the Smad phosphorylation using Western blot without exhibiting inhibition on the TGFβRI enzyme. This study identified a novel small-mol. scaffold that targets the TGFβ pathway via a non-receptor-kinase mechanism. This study involved multiple reactions and reactants, such as 2-Methoxyethylamine (cas: 109-85-3COA of Formula: C3H9NO).

2-Methoxyethylamine (cas: 109-85-3) belongs to ethers. Esters typically have a pleasant smell; those of low molecular weight are commonly used as fragrances and are found in essential oils and pheromones. Because of their lack of hydrogen-bond-donating ability, esters do not self-associate. Consequently, esters are more volatile than carboxylic acids of similar molecular weight.COA of Formula: C3H9NO

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Synthesis and biological evaluation of celastrol derivatives as potent antitumor agents with STAT3 inhibition was written by Xu, Shaohua;Fan, Ruolan;Wang, Lu;He, Weishen;Ge, Haixia;Chen, Hailan;Xu, Wen;Zhang, Jian;Xu, Wei;Feng, Yaqian;Fan, Zhimin. And the article was included in Journal of Enzyme Inhibition and Medicinal Chemistry in 2022.Formula: C3H9NO The following contents are mentioned in the article:

Using STAT3 inhibitors as a potential strategy in cancer therapy have attracted much attention. Recently, celastrol has been reported that it could directly bind to and suppress the activity of STAT3 in the cardiac dysfunction model. To explore more effective STAT3 inhibiting anti-tumor drug candidates, we synthesized a series of celastrol derivatives and biol. evaluated them with several human cancer cell lines. The western blotting anal. showed that compound3-Hydroxy-9b,13a-dimethyl-2-oxo-24,25,26-trinoroleana-1(10),3,5,7-tetraen-29-oic acid 2-(2-thienyl) ethylamide,the most active derivative, could suppress the STAT3s phosphorylation as well as its downstream genes. SPR anal., mol. docking and dynamics simulations results indicated that the 3-Hydroxy-9b,13a-dimethyl-2-oxo-24,25,26-trinoroleana-1(10),3,5,7-tetraen-29-oic acid 2-(2-thienyl) ethylamide could bind with STAT3 protein more tightly than celastrol. Then we found that the 3-Hydroxy-9b,13a-dimethyl-2-oxo-24,25,26-trinoroleana-1(10),3,5,7-tetraen-29-oic acid 2-(2-thienyl) ethylamide could block cell-cycle and induce apoptosis on HCT-116 cells. Furthermore, the anti-tumor effect of 3-Hydroxy-9b,13a-dimethyl-2-oxo-24,25,26-trinoroleana-1(10),3,5,7-tetraen-29-oic acid 2-(2-thienyl) ethylamide was verified on colorectal cancer organoid. This is the first research that discovered effective STAT3 inhibitors as potent anti-tumor agents from celastrol derivatives This study involved multiple reactions and reactants, such as 2-Methoxyethylamine (cas: 109-85-3Formula: C3H9NO).

2-Methoxyethylamine (cas: 109-85-3) belongs to ethers. Esters typically have a pleasant smell; those of low molecular weight are commonly used as fragrances and are found in essential oils and pheromones. Esterification is the general name for a chemical reaction in which two reactants (typically an alcohol and an acid) form an ester as the reaction product. Esters are common in organic chemistry and biological materials.Formula: C3H9NO

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Virtual screening of curcumin and its analogs against the spike surface glycoprotein of SARS-CoV-2 and SARS-CoV was written by Patel, Ashish;Rajendran, Malathi;Shah, Ashish;Patel, Harnisha;Pakala, Suresh B.;Karyala, Prashanthi. And the article was included in Journal of Biomolecular Structure and Dynamics in 2022.Name: Bisdemethoxycurcumin The following contents are mentioned in the article:

The novel corona virus SARS-CoV-2 and the 2002 SARS-CoV have 74% identity and use similar mechanisms to gain entry into the cell. Both the viruses enter the host cell by binding of the viral spike glycoprotein to the host receptor, angiotensin converting enzyme 2 (ACE2). Targeting entry of the virus has a better advantage than inhibiting the later stages of the viral life cycle. The crystal structure of the SARS-CoV (6CRV: full length S protein) and SARS-CoV-2 Spike proteins (6M0J: Receptor binding domain, RBD) was used to determine potential small mol. inhibitors. Curcumin, a naturally occurring phytochem. in Curcuma longa, is known to have broad pharmacol. properties. In the present study, curcumin and its derivatives were docked, using Autodock 4.2, onto the 6CRV and 6M0J to study their capability to act as inhibitors of the spike protein and thereby, viral entry. The curcumin and its derivatives displayed binding energies, ΔG, ranging from -10.98 to -5.12 kcal/mol (6CRV) and -10.01 to -5.33 kcal/mol (6M0J). The least binding energy was seen in bis-demethoxycurcumin with: ΔG = -10.98 kcal/mol (6CRV) and -10.01 kcal/mol (6M0J). A good binding energy, drug likeness and efficient pharmacokinetic parameters suggest the potential of curcumin and few of its derivatives as SARS-CoV-2 spike protein inhibitors. However, further research is necessary to investigate the ability of these compounds as viral entry inhibitors. This study involved multiple reactions and reactants, such as Bisdemethoxycurcumin (cas: 33171-05-0Name: Bisdemethoxycurcumin).

Bisdemethoxycurcumin (cas: 33171-05-0) belongs to ethers. Esters are widespread in nature and are widely used in industry. In nature, fats are in general triesters derived from glycerol and fatty acids. Esters are responsible for the aroma of many fruits. Because of their lack of hydrogen-bond-donating ability, esters do not self-associate. Consequently, esters are more volatile than carboxylic acids of similar molecular weight.Name: Bisdemethoxycurcumin

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Evaluation of traditional ayurvedic Kadha for prevention and management of the novel Coronavirus (SARS-CoV-2) using in silico approach was written by Maurya, Dharmendra Kumar;Sharma, Deepak. And the article was included in Journal of Biomolecular Structure and Dynamics in 2022.Formula: C19H16O4 The following contents are mentioned in the article:

Since the emergence of novel Coronavirus (SARS-CoV-2) infection in Wuhan, China in Dec. 2019, it has now spread to over 205 countries. Considering the current state of affairs, there is an urgent unmet medical need to identify novel and effective approaches for the prevention and treatment of COVID-19 by re-evaluating the knowledge of traditional medicines and repurposing of drugs. Here, we used mol. docking and mol. dynamics simulation approach to explore the beneficial roles of phytochems. and active pharmacol. agents present in the Indian herbs which are widely used in the preparation of Ayurvedic medicines in the form of Kadha to control various respiratory disorders such as cough, cold and flu. Our study has identified an array of phytochems. present in these herbs which have significant docking scores and potential to inhibit different stages of SARS-CoV-2 infection as well as other Coronavirus target proteins. The phytochems. present in these herbs possess significant anti-inflammatory property. Apart from this, based on their pharmaceutical characteristics, we have also performed in-silico drug-likeness and predicted pharmacokinetics of the selected phytochems. found in the Kadha. Overall our study provides scientific justification in terms of binding of active ingredients present in different plants used in Kadha preparation with viral proteins and target proteins for prevention and treatment of the COVID-19. This study involved multiple reactions and reactants, such as Bisdemethoxycurcumin (cas: 33171-05-0Formula: C19H16O4).

Bisdemethoxycurcumin (cas: 33171-05-0) belongs to ethers. Volatile esters with characteristic odours are used in synthetic flavours, perfumes, and cosmetics. Certain volatile esters are used as solvents for lacquers, paints, and varnishes. Esterification is the general name for a chemical reaction in which two reactants (typically an alcohol and an acid) form an ester as the reaction product. Esters are common in organic chemistry and biological materials.Formula: C19H16O4

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem