Category: 2253-73-8

Synthesis, antifungal activity, and 3D-QSAR study of novel nopol-derived 1,3,4-thiadiazole-thiourea compounds was written by Chen, Ming;Duan, Wen-Gui;Lin, Gui-Shan;Fan, Zhong-Tian;Wang, Xiu. And the article was included in Molecules in 2021.Formula: C4H7NS The following contents are mentioned in the article:

A series of novel nopol derivatives bearing the 1,3,4-thiadiazole-thiourea moiety I (R = Bu, Ph, 2-MeC₆H₄, etc.) were designed and synthesized by multi-step reactions in search of potent natural product-based antifungal agents. Antifungal activity of the target compounds was evaluated by in vitro methods against Fusarium oxysporum f. sp. cucumerinum, Cercospora arachidicola, Physalospora piricola, Alternaria solani, Gibberella zeae, Rhizoeotnia solani, Bipolaris maydis, and Colleterichum orbicalare at 50渭g/mL. All the target compounds exhibited better antifungal activity against P. piricola, C. arachidicola, and A. solani. Compound I (R =3,4-di-Cl-C₆H₃) showed the best broad-spectrum antifungal activity against all the tested fungi. Compounds I (R = 3-MeC₆H₄, i-Pr, 4-ClC₆H₄) had inhibition rates of 86.1%, 86.1%, and 80.2%, resp., against P. piricola, much better than that of the pos. control chlorothalonil. Moreover, compounds I (R = 3-ClC₆H₄) and I (R = 2-CF₃C₆H₄) held inhibition rates of 80.6% and 79.0% against C. arachidicola and G. zeae, resp., much better than that of the com. fungicide chlorothalonil. In order to design more effective antifungal compounds against A. solani, anal. of the three-dimensional quant. structure-activity relationship (3D-QSAR) was carried out using the CoMFA method, and a reasonable and effective 3D-QSAR model (r² = 0.992, q² = 0.753) has been established and some intriguing structure-activity relationships were found and are discussed by theor. calculation This study involved multiple reactions and reactants, such as Isopropylisothiocyanate (cas: 2253-73-8Formula: C4H7NS).

Isopropylisothiocyanate (cas: 2253-73-8) belongs to esters. 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. Esters contain a carbonyl center, which gives rise to 120掳 C鈥揅鈥揙 and O鈥揅鈥揙 angles. Unlike amides, esters are structurally flexible functional groups because rotation about the C鈥揙鈥揅 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. Formula: C4H7NS

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Efficacy of selected Nigerian tropical plants in the treatment of COVID-19: in silico and in vitro investigations was written by Oladele, Johnson Olaleye;Adewole, Taiwo Scholes;Ogundepo, Gbenga Emmanuel;Oyeleke, Oyedotun Moses;Kuku, Adenike. And the article was included in Environmental Science and Pollution Research.Recommanded Product: Isopropylisothiocyanate The following contents are mentioned in the article:

The whole world is still challenged with COVID-19 pandemic caused by Coronavirus-2 (SARS-CoV-2) which has affected millions of individuals around the globe. Although there are prophylactic vaccines being used, till now, there is ongoing research into discovery of drug candidates for total eradication of all types of coronaviruses. In this context, this study sought to investigate the inhibitory effects of six selected tropical plants against four pathogenic proteins of Coronavirus-2. The medicinal plants used in this study were selected based on their traditional applications in herbal medicine to treat COVID-19 and related symptoms. The biol. activities (antioxidant, free radical scavenging, and anti-inflammatory activities) of the extracts of the plants were assessed using different standard procedures. The phytochems. present in the extracts were identified using GCMS and further screened via in silico mol. docking. The data from this study demonstrated that the phytochems. of the selected tropical medicinal plants displayed substantial binding affinity to the binding pockets of the four main pathogenic proteins of Coronavirus-2 indicating them as putative inhibitors of Coronavirus-2 and as potential anti-coronavirus drug candidates. The reaction between these phytocompounds and proteins of Coronavirus-2 could alter the pathophysiol. of COVID-19, thus mitigating its pathogenic reactions/activities. In conclusion, phytocompounds of these plants exhibited promising binding efficiency with target proteins of SARS-COV-2. Nevertheless, in vitro and in vivo studies are important to potentiate these findings. Other drug techniques or models are vital to elucidate their compatibility and usage as adjuvants in vaccine development against the highly contagious COVID-19 infection. This study involved multiple reactions and reactants, such as Isopropylisothiocyanate (cas: 2253-73-8Recommanded Product: Isopropylisothiocyanate).

Isopropylisothiocyanate (cas: 2253-73-8) belongs to esters. 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.Recommanded Product: Isopropylisothiocyanate

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Efficacy of selected Nigerian tropical plants in the treatment of COVID-19: in silico and in vitro investigations was written by Oladele, Johnson Olaleye;Adewole, Taiwo Scholes;Ogundepo, Gbenga Emmanuel;Oyeleke, Oyedotun Moses;Kuku, Adenike. And the article was included in Environmental Science and Pollution Research.Computed Properties of C4H7NS The following contents are mentioned in the article:

The whole world is still challenged with COVID-19 pandemic caused by Coronavirus-2 (SARS-CoV-2) which has affected millions of individuals around the globe. Although there are prophylactic vaccines being used, till now, there is ongoing research into discovery of drug candidates for total eradication of all types of coronaviruses. In this context, this study sought to investigate the inhibitory effects of six selected tropical plants against four pathogenic proteins of Coronavirus-2. The medicinal plants used in this study were selected based on their traditional applications in herbal medicine to treat COVID-19 and related symptoms. The biol. activities (antioxidant, free radical scavenging, and anti-inflammatory activities) of the extracts of the plants were assessed using different standard procedures. The phytochems. present in the extracts were identified using GCMS and further screened via in silico mol. docking. The data from this study demonstrated that the phytochems. of the selected tropical medicinal plants displayed substantial binding affinity to the binding pockets of the four main pathogenic proteins of Coronavirus-2 indicating them as putative inhibitors of Coronavirus-2 and as potential anti-coronavirus drug candidates. The reaction between these phytocompounds and proteins of Coronavirus-2 could alter the pathophysiol. of COVID-19, thus mitigating its pathogenic reactions/activities. In conclusion, phytocompounds of these plants exhibited promising binding efficiency with target proteins of SARS-COV-2. Nevertheless, in vitro and in vivo studies are important to potentiate these findings. Other drug techniques or models are vital to elucidate their compatibility and usage as adjuvants in vaccine development against the highly contagious COVID-19 infection. This study involved multiple reactions and reactants, such as Isopropylisothiocyanate (cas: 2253-73-8Computed Properties of C4H7NS).

Isopropylisothiocyanate (cas: 2253-73-8) belongs to esters. 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 are more polar than ethers but less polar than alcohols. They participate in hydrogen bonds as hydrogen-bond acceptors, but cannot act as hydrogen-bond donors, unlike their parent alcohols. This ability to participate in hydrogen bonding confers some water-solubility.Computed Properties of C4H7NS

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Synthesis of novel quinoline-thiosemicarbazide hybrids and evaluation of their biological activities, molecular docking, molecular dynamics, pharmacophore model studies, and ADME-Tox properties was written by Patel, Dhaval B.;Darji, Drashti G.;Patel, Krupa R.;Rajani, Dhanji P.;Rajani, Smita D.;Patel, Hitesh D.. And the article was included in Journal of Heterocyclic Chemistry in 2020.Formula: C4H7NS The following contents are mentioned in the article:

In the present study, a novel series of N-((substituted)carbamothioyl)-2,4-dimethylquinoline-3-carboxamide I (R = H, i-Pr, 3,4-dichlorophenyl, cyclohexyl, etc.) was synthesized by microwave-assisted method. Further, the novel synthesized compounds were evaluated for their in-vitro biol. activities against antibacterial, antifungal, antimalarial, and antituberculosis activities as well as for in-silico study. The antimalarial results demonstrated that compounds I (R = 4-methylphenyl, phenyl) (0.02渭g/mL) have notable potency against Plasmodium falciparum compared with chloroquine (0.02渭g/mL); compounds I (R = 3-methoxyphenyl) (0.10渭g/mL), I (R = 3,4-dichlorophenyl, H) (0.19渭g/mL), I (R = 4-chlorophenyl, Et) (0.15渭g/mL), I (R = 4-nitrophenyl, t-Bu) (0.25渭g/mL) also exhibited good activity against P. falciparum compared with quinine (0.26渭g/mL) as standard drug. Docking was performed on PFDHFR-TS, given the effect of compounds against the P. falciparum strain was excellent in comparison with standard drug. Mol. docking suggested that compounds I (R = 4-chlorophenyl, 4-iodophenyl, 4-methylphenyl, 3,4-dichlorophenyl, 3-methoxyphenyl) closely bind with the active site of protein 3JSU and 4DP3, resp., and compared with biol. activity. Also, mol. dynamics simulation have been carried out on the best dock compound I (R = 3,4-dichlorophenyl) complex with PDB: 3JSU to check the stability of docked complex and their mol. interaction. The calculated ADME-Tox descriptors for the synthesized compounds validated good pharmacokinetics properties, suggesting that these compounds could be used as hit for the development of the new active agents. This study involved multiple reactions and reactants, such as Isopropylisothiocyanate (cas: 2253-73-8Formula: C4H7NS).

Isopropylisothiocyanate (cas: 2253-73-8) belongs to esters. Esters perform as high-grade solvents for a broad array of plastics, plasticizers, resins, and lacquers, and are one of the largest classes of synthetic lubricants on the commercial market. Esters contain a carbonyl center, which gives rise to 120掳 C鈥揅鈥揙 and O鈥揅鈥揙 angles. Unlike amides, esters are structurally flexible functional groups because rotation about the C鈥揙鈥揅 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. Formula: C4H7NS

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Synthesis of novel quinoline-thiosemicarbazide hybrids and evaluation of their biological activities, molecular docking, molecular dynamics, pharmacophore model studies, and ADME-Tox properties was written by Patel, Dhaval B.;Darji, Drashti G.;Patel, Krupa R.;Rajani, Dhanji P.;Rajani, Smita D.;Patel, Hitesh D.. And the article was included in Journal of Heterocyclic Chemistry in 2020.Reference of 2253-73-8 The following contents are mentioned in the article:

In the present study, a novel series of N-((substituted)carbamothioyl)-2,4-dimethylquinoline-3-carboxamide I (R = H, i-Pr, 3,4-dichlorophenyl, cyclohexyl, etc.) was synthesized by microwave-assisted method. Further, the novel synthesized compounds were evaluated for their in-vitro biol. activities against antibacterial, antifungal, antimalarial, and antituberculosis activities as well as for in-silico study. The antimalarial results demonstrated that compounds I (R = 4-methylphenyl, phenyl) (0.02渭g/mL) have notable potency against Plasmodium falciparum compared with chloroquine (0.02渭g/mL); compounds I (R = 3-methoxyphenyl) (0.10渭g/mL), I (R = 3,4-dichlorophenyl, H) (0.19渭g/mL), I (R = 4-chlorophenyl, Et) (0.15渭g/mL), I (R = 4-nitrophenyl, t-Bu) (0.25渭g/mL) also exhibited good activity against P. falciparum compared with quinine (0.26渭g/mL) as standard drug. Docking was performed on PFDHFR-TS, given the effect of compounds against the P. falciparum strain was excellent in comparison with standard drug. Mol. docking suggested that compounds I (R = 4-chlorophenyl, 4-iodophenyl, 4-methylphenyl, 3,4-dichlorophenyl, 3-methoxyphenyl) closely bind with the active site of protein 3JSU and 4DP3, resp., and compared with biol. activity. Also, mol. dynamics simulation have been carried out on the best dock compound I (R = 3,4-dichlorophenyl) complex with PDB: 3JSU to check the stability of docked complex and their mol. interaction. The calculated ADME-Tox descriptors for the synthesized compounds validated good pharmacokinetics properties, suggesting that these compounds could be used as hit for the development of the new active agents. This study involved multiple reactions and reactants, such as Isopropylisothiocyanate (cas: 2253-73-8Reference of 2253-73-8).

Isopropylisothiocyanate (cas: 2253-73-8) belongs to esters. 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. Many esters have the potential for conformational isomerism, but they tend to adopt an s-cis (or Z) conformation rather than the s-trans (or E) alternative, due to a combination of hyperconjugation and dipole minimization effects. The preference for the Z conformation is influenced by the nature of the substituents and solvent, if present. Lactones with small rings are restricted to the s-trans (i.e. E) conformation due to their cyclic structure.Reference of 2253-73-8

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Simple and Precision Approach to Polythioimidocarbonates and Hybrid Block Copolymer Derivatives was written by Lai, Tao;Zhang, Pengfei;Zhao, Junpeng;Zhang, Guangzhao. And the article was included in Macromolecules (Washington, DC, United States) in 2021.Recommanded Product: 2253-73-8 The following contents are mentioned in the article:

The advancement of polymeric materials relies heavily on the innovation in polymerization reactions. In this study, we have discovered alternating copolymerization of isothiocyanate (ITC) and epoxide, which results in a nearly unexploited sulfur-containing polymer, polythioimidocarbonate (PTC). Provided with a simple two-component catalyst, i.e., a Lewis pair consisting of triethylborane (Et₃B) and excess phosphazene base (PB), the copolymerization starts from an alc. and proceeds in a strictly alternating and highly chemoselective manner, yielding PTC with controlled molar mass and low dispersity, free of cyclic byproducts and ether linkages. The method applies well to a variety of ITCs and epoxides. It is also found with great excitement that the reaction on ITC is fully inhibited when the catalyst composition is inverted to have Et₃B in excess, while homopolymerization of epoxide occurs selectively in this case. D. functional theory (DFT) calculation reveals that Et₃B-alkoxide complexation is the key to suppressing the back-biting reaction during the copolymerization ([Et₃B] < [PB]) and inhibiting the copolymerization ([Et₃B] > [PB]). This unique “biased” feature is harnessed to develop a catalyst switch strategy for one-pot block copolymerization from the mixture of ITC and epoxide following either a copolymerization or homopolymerization of the first order, resulting in tailor-made PTC-polyether block copolymers with reversible sequence structures. On the other hand, sequence-selective terpolymn. occurs from a mixture of phthalic anhydride, ITC, and epoxide, allowing the one-step synthesis of polyester-PTC block terpolymer. These results have highlighted the versatility of the method for exploring this uncharted area of polymers. This study involved multiple reactions and reactants, such as Isopropylisothiocyanate (cas: 2253-73-8Recommanded Product: 2253-73-8).

Isopropylisothiocyanate (cas: 2253-73-8) belongs to esters. 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.Recommanded Product: 2253-73-8

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Simple and Precision Approach to Polythioimidocarbonates and Hybrid Block Copolymer Derivatives was written by Lai, Tao;Zhang, Pengfei;Zhao, Junpeng;Zhang, Guangzhao. And the article was included in Macromolecules (Washington, DC, United States) in 2021.Application of 2253-73-8 The following contents are mentioned in the article:

The advancement of polymeric materials relies heavily on the innovation in polymerization reactions. In this study, we have discovered alternating copolymerization of isothiocyanate (ITC) and epoxide, which results in a nearly unexploited sulfur-containing polymer, polythioimidocarbonate (PTC). Provided with a simple two-component catalyst, i.e., a Lewis pair consisting of triethylborane (Et₃B) and excess phosphazene base (PB), the copolymerization starts from an alc. and proceeds in a strictly alternating and highly chemoselective manner, yielding PTC with controlled molar mass and low dispersity, free of cyclic byproducts and ether linkages. The method applies well to a variety of ITCs and epoxides. It is also found with great excitement that the reaction on ITC is fully inhibited when the catalyst composition is inverted to have Et₃B in excess, while homopolymerization of epoxide occurs selectively in this case. D. functional theory (DFT) calculation reveals that Et₃B-alkoxide complexation is the key to suppressing the back-biting reaction during the copolymerization ([Et₃B] < [PB]) and inhibiting the copolymerization ([Et₃B] > [PB]). This unique “biased” feature is harnessed to develop a catalyst switch strategy for one-pot block copolymerization from the mixture of ITC and epoxide following either a copolymerization or homopolymerization of the first order, resulting in tailor-made PTC-polyether block copolymers with reversible sequence structures. On the other hand, sequence-selective terpolymn. occurs from a mixture of phthalic anhydride, ITC, and epoxide, allowing the one-step synthesis of polyester-PTC block terpolymer. These results have highlighted the versatility of the method for exploring this uncharted area of polymers. This study involved multiple reactions and reactants, such as Isopropylisothiocyanate (cas: 2253-73-8Application of 2253-73-8).

Isopropylisothiocyanate (cas: 2253-73-8) belongs to esters. Esters are also usually derived from carboxylic acids. It may also be obtained by reaction of acid anhydride or acid halides with alcohols or by the reaction of salts of carboxylic acids with alkyl halides. Many esters have the potential for conformational isomerism, but they tend to adopt an s-cis (or Z) conformation rather than the s-trans (or E) alternative, due to a combination of hyperconjugation and dipole minimization effects. The preference for the Z conformation is influenced by the nature of the substituents and solvent, if present. Lactones with small rings are restricted to the s-trans (i.e. E) conformation due to their cyclic structure.Application of 2253-73-8

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Phytochemical, anti-inflammatory, antioxidant, cytotoxic and antibacterial study of Capparis cartilaginea decnefrom Yemen was written by Moharram, Bushra Abdulkarim;Al Mahbashi, Hassan M.;SaifAli, Riyadh;Aqlan, Faten Ali. And the article was included in International Journal of Pharmacy and Pharmaceutical Sciences in 2018.Category: esters-buliding-blocks The following contents are mentioned in the article:

Objective: To investigate phytochems. and biol. activities of Capparis cartilaginea extracts Methods: The methanolic extracts of leaves, stem and twigs of C. cartilaginea were screened for their phytochems. The essential oil of the leaves was hydrodistd. by a Clevenger apparatus and analyzed by gas chromatog.-mass spectrometry (GC-MS). The leaves extract of C. cartilaginea was evaluated for its anti-inflammatory effect, using formalin-induced paw edema. The leaves, stem and twig extracts were assessed for their antioxidant activity, using free radical scavenging assay, cytotoxic activity, using 3-[4,5-dimethylthiazole-2-yl]-2,5-diphenyltetrazolium bromide (MTT) assay and antibacterial activity, using the microdilution method. Results: All extracts of C. cartilaginea contained alkaloids, carbohydrates, protein, coumarin, phytosterols, bitter principles, phenols and tannins. The essential oil of the leaves was mainly composed of iso-Pr isothiocyanate (69.4%), butane,1-isothiocyanate (26.97%) and iso-Bu isothiocyanate (3.26%). The leaves extract at doses of 200 and 400 mg/kg, significantly inhibited paw edema at the 3rd h (49.1%, 54.0%, resp.) and this effect was comparable to that of diclofenac (58.87%). The leaves extract showed the highest antioxidant activity with IC50 value of 91.71渭g/mL. The twigs extract exhibited the highest cytotoxic activity against human lung carcinoma (A549) with IC50 of 57.5渭g/mL. The leaves and stem extracts exhibited antibacterial activity against Staphylococcus aureus with min. inhibitory concentration (MIC) of 5.0 mg/mL. Conclusion: The leaves extract of C. cartilaginea is a potential source of bioactive compounds that could have a role in anti-inflammation. Twigs extract of the C. cartilaginea possesses a potential cytotoxic effect on human lung cell line. This study involved multiple reactions and reactants, such as Isopropylisothiocyanate (cas: 2253-73-8Category: esters-buliding-blocks).

Isopropylisothiocyanate (cas: 2253-73-8) belongs to esters. 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. Cyclic esters are called lactones, regardless of whether they are derived from an organic or inorganic acid. One example of an organic lactone is 纬-valerolactone.Category: esters-buliding-blocks

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Active ingredients and mechanisms of Phellinus linteus (grown on Rosa multiflora) for alleviation of Type 2 diabetes mellitus through network pharmacology was written by Oh, Ki Kwang;Adnan, Md.;Cho, Dong Ha. And the article was included in Gene in 2021.Formula: C4H7NS The following contents are mentioned in the article:

Phellinus linteus (mushroom) grown on Rosa multiflora (PL@RM), exposed beneficial effect and safety on Type 2 diabetes mellitus (T2DM) from Korean folk remedies. However, its active chem. constituents and mechanism(s) against T2DM have not been confirmed. Hence, we deciphered the active compounds and mechanism(s) of PL@RM against T2DM through network pharmacol. GC-MS of PL@RM manifested 54 compounds and drug-likeness properties of these compounds were confirmed by Lipinski’s rule. The compound (40) related genes were composed of Similarity Ensemble Approach (SEA) and SwissTargetPrediction (STP). The overlapping genes (61) between the two databases were identified. Besides, the T2DM related genes (4,736) were extracted from DisGeNet and OMIM database. In parallel, a Venn diagram was constructed between the overlapping genes (61) and T2DM related genes (4,736), and finally, 48 genes were picked. The interactive networks between compounds and overlapping genes were plotted and visualized by RStudio. In addition, KEGG Pathway enrichment anal. was evaluated by String. String anal. showed that the mechanisms of PL@RM against T2DM were related to 16 pathways, where inhibition of gluconeogenesis by inactivating metabolic pathways was noted as the hub pathway of PL@RM against T2DM. Besides, bubble chart indicated that activation of the AMPK signaling pathway might enhance the insulin receptor (IR) phosphorylation, which is regarded the key signaling pathway of PL@RM against T2DM. Furthermore, the autodock vina revealed the promising binding affinity energy of the epicholesterol (the most drug-likeness compound) on HMGCR (hub gene). Overall, this work hints at the therapeutic evidence of PL@RM on T2DM, and this data expound the main chem. compounds and mechanisms of PL@RM against T2DM. This study involved multiple reactions and reactants, such as Isopropylisothiocyanate (cas: 2253-73-8Formula: C4H7NS).

Isopropylisothiocyanate (cas: 2253-73-8) belongs to esters. Esters perform as high-grade solvents for a broad array of plastics, plasticizers, resins, and lacquers, and are one of the largest classes of synthetic lubricants on the commercial market. 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.Formula: C4H7NS

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Active ingredients and mechanisms of Phellinus linteus (grown on Rosa multiflora) for alleviation of Type 2 diabetes mellitus through network pharmacology was written by Oh, Ki Kwang;Adnan, Md.;Cho, Dong Ha. And the article was included in Gene in 2021.Reference of 2253-73-8 The following contents are mentioned in the article:

Phellinus linteus (mushroom) grown on Rosa multiflora (PL@RM), exposed beneficial effect and safety on Type 2 diabetes mellitus (T2DM) from Korean folk remedies. However, its active chem. constituents and mechanism(s) against T2DM have not been confirmed. Hence, we deciphered the active compounds and mechanism(s) of PL@RM against T2DM through network pharmacol. GC-MS of PL@RM manifested 54 compounds and drug-likeness properties of these compounds were confirmed by Lipinski’s rule. The compound (40) related genes were composed of Similarity Ensemble Approach (SEA) and SwissTargetPrediction (STP). The overlapping genes (61) between the two databases were identified. Besides, the T2DM related genes (4,736) were extracted from DisGeNet and OMIM database. In parallel, a Venn diagram was constructed between the overlapping genes (61) and T2DM related genes (4,736), and finally, 48 genes were picked. The interactive networks between compounds and overlapping genes were plotted and visualized by RStudio. In addition, KEGG Pathway enrichment anal. was evaluated by String. String anal. showed that the mechanisms of PL@RM against T2DM were related to 16 pathways, where inhibition of gluconeogenesis by inactivating metabolic pathways was noted as the hub pathway of PL@RM against T2DM. Besides, bubble chart indicated that activation of the AMPK signaling pathway might enhance the insulin receptor (IR) phosphorylation, which is regarded the key signaling pathway of PL@RM against T2DM. Furthermore, the autodock vina revealed the promising binding affinity energy of the epicholesterol (the most drug-likeness compound) on HMGCR (hub gene). Overall, this work hints at the therapeutic evidence of PL@RM on T2DM, and this data expound the main chem. compounds and mechanisms of PL@RM against T2DM. This study involved multiple reactions and reactants, such as Isopropylisothiocyanate (cas: 2253-73-8Reference of 2253-73-8).

Isopropylisothiocyanate (cas: 2253-73-8) belongs to esters. Carboxylic acid esters of low molecular weight are colourless, volatile liquids with pleasant odours, slightly soluble in water. Esters are more polar than ethers but less polar than alcohols. They participate in hydrogen bonds as hydrogen-bond acceptors, but cannot act as hydrogen-bond donors, unlike their parent alcohols. This ability to participate in hydrogen bonding confers some water-solubility.Reference of 2253-73-8

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics