Pub Date : 2023-01-01DOI: 10.5267/j.ccl.2023.2.004
R. Rani, T. Venkatesh, N. Satyanarayan, B. N. Nippu
In this work, we have reported a synthesis of some novel pyrazol-pyrimidine derivatives (3a-f) obtained by the reaction of substituted pyrazole aldehydes and barbituric acid derivatives in presence of L-proline as a catalyst via Knoevengal condensation reaction. The structures of the synthesized compounds were characterized by spectral methods. From antibacterial activity, compounds 3d and 3f exhibited highest zone of inhibition as compared to standard drug gentamicin. Cytotoxicity results revealed that compound 3e exhibited a promising IC50 value against both the cell lines (A549 and MCF-7) as compared to the standard drug doxorubicin. Docking study discloses that, all the newly synthesized compounds displayed promising binding energies with the protein receptor EGFR kinase domain.
{"title":"Design, synthesis and characterization of some new pyrazol-pyrimidine derivatives and evaluation of their biological activities","authors":"R. Rani, T. Venkatesh, N. Satyanarayan, B. N. Nippu","doi":"10.5267/j.ccl.2023.2.004","DOIUrl":"https://doi.org/10.5267/j.ccl.2023.2.004","url":null,"abstract":"In this work, we have reported a synthesis of some novel pyrazol-pyrimidine derivatives (3a-f) obtained by the reaction of substituted pyrazole aldehydes and barbituric acid derivatives in presence of L-proline as a catalyst via Knoevengal condensation reaction. The structures of the synthesized compounds were characterized by spectral methods. From antibacterial activity, compounds 3d and 3f exhibited highest zone of inhibition as compared to standard drug gentamicin. Cytotoxicity results revealed that compound 3e exhibited a promising IC50 value against both the cell lines (A549 and MCF-7) as compared to the standard drug doxorubicin. Docking study discloses that, all the newly synthesized compounds displayed promising binding energies with the protein receptor EGFR kinase domain.","PeriodicalId":10942,"journal":{"name":"Current Chemistry Letters","volume":"15 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"73079768","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-01-01DOI: 10.5267/j.ccl.2023.1.002
H. Kumar, S. Acharyya, P. Mondal, P. Patra, Satyabrata Sahu
The current technique was developed to estimate the amount of alectinib present in spiked rabbit plasma using liquid chromatographic mass spectrometry. The liquid-liquid extraction method was used, and chromatographic separation was carried out on a C18 (4.6mm id x 50mm) analytical column with a mobile phase consisting of acetonitrile and water with 0.1% formic acid at a volume ratio of 75:25. Alectinib's product m/z +483.2 (parent) 396.1 (product) and the internal standard m/z +447.5 (parent) 380.3 (product) were both obtained using positive ion mode. The calibration curve was linear from 0.5 to 600 ng/ml. The percentage extraction recovery (98.15% → 98.86%), demonstrated excellent matrix and analyte selectivity (% interference = 0), and satisfactory stability study results in all types (% nominal 94.94% → 99.63%). The intra and interday accuracy with % nominal 97 → 98.8%, precision % CV ≤ 2% in all quality control levels. The rabbit model's pharmacokinetic parameters were examined, and alectinib's area under the curve (AUC 0—∞) was 4269 ± 8.13 hr.ng/ml. The half-life of elimination (t1/2) is 8.52 ± 6.66 hours. The currently established approach was used in rabbit blood samples for pharmacokinetic investigations of commercial formulations since it was thought to be a novel, verified bioanalytical method based on experimental results.
目前的技术是利用液相色谱-质谱法估计加标兔血浆中存在的阿勒替尼的量。采用液液萃取法，色谱分离采用C18 (4.6mm id x 50mm)分析柱，流动相为乙腈-水- 0.1%甲酸，体积比为75:25。用正离子模式得到Alectinib的产物m/z +483.2(母体)396.1(产物)和内标m/z +447.5(母体)380.3(产物)。校准曲线在0.5 ~ 600 ng/ml范围内呈线性。萃取回收率(98.15%→98.86%)，对基质和分析物具有良好的选择性(%干扰= 0)，稳定性研究结果满意(%标称94.94%→99.63%)。在所有质量控制水平内、日间准确度为%标称97→98.8%，精密度% CV≤2%。测定兔模型药动学参数，阿勒替尼曲线下面积(AUC 0 -∞)为4269±8.13 hr.ng/ml。消除半衰期(t1/2)为8.52±6.66小时。目前建立的方法被用于兔血液样本的药代动力学研究，因为它被认为是一种基于实验结果的新颖的、经过验证的生物分析方法。
{"title":"Quantification of Alectinib in spiked rabbit plasma using liquid chromatography- electro spray ionization-tandem mass spectrophotometry: An application to pharmacokinetic study","authors":"H. Kumar, S. Acharyya, P. Mondal, P. Patra, Satyabrata Sahu","doi":"10.5267/j.ccl.2023.1.002","DOIUrl":"https://doi.org/10.5267/j.ccl.2023.1.002","url":null,"abstract":"The current technique was developed to estimate the amount of alectinib present in spiked rabbit plasma using liquid chromatographic mass spectrometry. The liquid-liquid extraction method was used, and chromatographic separation was carried out on a C18 (4.6mm id x 50mm) analytical column with a mobile phase consisting of acetonitrile and water with 0.1% formic acid at a volume ratio of 75:25. Alectinib's product m/z +483.2 (parent) 396.1 (product) and the internal standard m/z +447.5 (parent) 380.3 (product) were both obtained using positive ion mode. The calibration curve was linear from 0.5 to 600 ng/ml. The percentage extraction recovery (98.15% → 98.86%), demonstrated excellent matrix and analyte selectivity (% interference = 0), and satisfactory stability study results in all types (% nominal 94.94% → 99.63%). The intra and interday accuracy with % nominal 97 → 98.8%, precision % CV ≤ 2% in all quality control levels. The rabbit model's pharmacokinetic parameters were examined, and alectinib's area under the curve (AUC 0—∞) was 4269 ± 8.13 hr.ng/ml. The half-life of elimination (t1/2) is 8.52 ± 6.66 hours. The currently established approach was used in rabbit blood samples for pharmacokinetic investigations of commercial formulations since it was thought to be a novel, verified bioanalytical method based on experimental results.","PeriodicalId":10942,"journal":{"name":"Current Chemistry Letters","volume":"170 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"73424965","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-01-01DOI: 10.5267/j.ccl.2022.8.008
Bharathi Sharanappa Veerapur, L.N. Netravati, H.M. Naveenakumari, K. Basavaraja
A series of benzofuran derivatives compounds have been designed and synthesized. Here, Benzofuran linked with pyridinone compounds is reported. The desired compounds were prepared by using 2-nitrosalisaldehydnitrile (1). After, this is treated with chloroacetone, which results in the formation of 1-(3-amino-5-nitro-1-benzofuran-2-yl) ethanone (2). Later the 3a-b is produced by a reaction of acetylation and benzylation on compound 2 respectively. The alkylation of compounds 4a-b react with sodium hydroxide, we get new pyridinone compounds. All the synthesized compounds were characterized by IR, 1H NMR, and GCM. Further, these have been screened for their antimicrobial, and antioxidant activity. Along with this activity reference we design drug discovery of Molecular docking study by using different computational software.
{"title":"Design, synthesis, molecular docking and biological evaluation of some pyridinone bearing scaffold benzofuran as antimicrobial and antioxidant activity","authors":"Bharathi Sharanappa Veerapur, L.N. Netravati, H.M. Naveenakumari, K. Basavaraja","doi":"10.5267/j.ccl.2022.8.008","DOIUrl":"https://doi.org/10.5267/j.ccl.2022.8.008","url":null,"abstract":"A series of benzofuran derivatives compounds have been designed and synthesized. Here, Benzofuran linked with pyridinone compounds is reported. The desired compounds were prepared by using 2-nitrosalisaldehydnitrile (1). After, this is treated with chloroacetone, which results in the formation of 1-(3-amino-5-nitro-1-benzofuran-2-yl) ethanone (2). Later the 3a-b is produced by a reaction of acetylation and benzylation on compound 2 respectively. The alkylation of compounds 4a-b react with sodium hydroxide, we get new pyridinone compounds. All the synthesized compounds were characterized by IR, 1H NMR, and GCM. Further, these have been screened for their antimicrobial, and antioxidant activity. Along with this activity reference we design drug discovery of Molecular docking study by using different computational software.","PeriodicalId":10942,"journal":{"name":"Current Chemistry Letters","volume":"18 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"81840095","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-01-01DOI: 10.5267/j.ccl.2022.11.001
A. E. Rhilassi, M. B. Ziatni
The non-stoichiometric, calcium-deficient hydroxyapatite was prepared through a low-temperature from aqueous solutions method and characterized using Physico-chemical methods. The potential of this hydroxyapatite to adsorb and release insulin from aqueous solutions was evaluated under physiological conditions. The effect of contact time and initial concentration were studied in batch experiments. The adsorption rate reached up to 81±5% in the first half-hour of contact, while the release rate of insulin incubation was about 41 ± 5% after 1 hour. The pseudo-first-order, pseudo-second-order, Elovich equation, Weber and Morris intraparticle diffusion model and Bangham’s pore diffusion model were applied to study the kinetics of the adsorption process. The pseudo-second-order kinetic model provided the best correlation R2(0.998) of the used experimental data compared to the other models. The adsorption of insulin onto hydroxyapatite was correlated well R2(0.998) with the Langmuir model as compared to Freundlich, Temkin and Dubinin–Kaganer–Radushkevich (D-K-R) models, with a maximum adsorption capacity of 24.46 mg/g. The isotherms parameters values of ΔG0, b_t and E show that the adsorption process is favorable, spontaneous, exothermic, and controlled by physisorption. The point of zero charge (pHZPC) of hydroxyapatite and the isoelectric point (pI) of insulin indicate that the interaction of insulin molecules with prepared apatite can be well described as an ions exchange reaction.
{"title":"Studies of kinetic models and adsorption isotherms: application on the interaction of insulin with synthetic hydroxyapatite","authors":"A. E. Rhilassi, M. B. Ziatni","doi":"10.5267/j.ccl.2022.11.001","DOIUrl":"https://doi.org/10.5267/j.ccl.2022.11.001","url":null,"abstract":"The non-stoichiometric, calcium-deficient hydroxyapatite was prepared through a low-temperature from aqueous solutions method and characterized using Physico-chemical methods. The potential of this hydroxyapatite to adsorb and release insulin from aqueous solutions was evaluated under physiological conditions. The effect of contact time and initial concentration were studied in batch experiments. The adsorption rate reached up to 81±5% in the first half-hour of contact, while the release rate of insulin incubation was about 41 ± 5% after 1 hour. The pseudo-first-order, pseudo-second-order, Elovich equation, Weber and Morris intraparticle diffusion model and Bangham’s pore diffusion model were applied to study the kinetics of the adsorption process. The pseudo-second-order kinetic model provided the best correlation R2(0.998) of the used experimental data compared to the other models. The adsorption of insulin onto hydroxyapatite was correlated well R2(0.998) with the Langmuir model as compared to Freundlich, Temkin and Dubinin–Kaganer–Radushkevich (D-K-R) models, with a maximum adsorption capacity of 24.46 mg/g. The isotherms parameters values of ΔG0, b_t and E show that the adsorption process is favorable, spontaneous, exothermic, and controlled by physisorption. The point of zero charge (pHZPC) of hydroxyapatite and the isoelectric point (pI) of insulin indicate that the interaction of insulin molecules with prepared apatite can be well described as an ions exchange reaction.","PeriodicalId":10942,"journal":{"name":"Current Chemistry Letters","volume":"12 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"77226403","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-01-01DOI: 10.5267/j.ccl.2023.5.004
G. Soni, Shikha Sharma, Neha Dangi
Steroid and painkiller abuse induced peptic ulcer disease, which causes abdominal pain, fullness, heartburn, and nausea. Medicinal plants have treated ulcers for centuries. We used Piper attenuatum ethanolic plant extracts for aspirin to induce ulcers in Wistar rats to test the leaf ethanolic extract's antiulcer properties. The control group is normal saline, the standard group is ranitidine (20 mg/kg), and the extract-treated groups are 100 mg/kg and 200 mg/kg ethanolic plant extracts. Ulcer Score, gastric juice volume, free and total acidity, ulcer index, ulcer protection, and pH were measured. The ulcer score was determined via rat stomach biopsies. Plant ethanolic extracts are gastroprotective. Only pH increased compared to the control group. Piper attenuatum ethanolic extract is the most gastroprotective at 200 mg/kg. Extracts were phytochemically and analytically assessed. Phytochemical screening demonstrates that plant extracts contain alkaloids, amides, glucose, proteins, glycosides, steroids, flavonoids, etc. This research suggests that phytoconstituents may have anti-ulcer potential, although structural elucidation of bioactive chemicals is needed. Molecular docking showed better binding affinity versus the 3D structure of pig gastric H+/K+ ATPase isoforms phytoconstituents Cepharadione A, Cepharadione B, Guineensine, Norcepharadione B, and Piperlonguminine. With these significant results, it may be a drug in the future.
{"title":"In silico molecular docking study and Protective effect of Piper attenuatum on aspirin induced gastric ulcer in rats","authors":"G. Soni, Shikha Sharma, Neha Dangi","doi":"10.5267/j.ccl.2023.5.004","DOIUrl":"https://doi.org/10.5267/j.ccl.2023.5.004","url":null,"abstract":"Steroid and painkiller abuse induced peptic ulcer disease, which causes abdominal pain, fullness, heartburn, and nausea. Medicinal plants have treated ulcers for centuries. We used Piper attenuatum ethanolic plant extracts for aspirin to induce ulcers in Wistar rats to test the leaf ethanolic extract's antiulcer properties. The control group is normal saline, the standard group is ranitidine (20 mg/kg), and the extract-treated groups are 100 mg/kg and 200 mg/kg ethanolic plant extracts. Ulcer Score, gastric juice volume, free and total acidity, ulcer index, ulcer protection, and pH were measured. The ulcer score was determined via rat stomach biopsies. Plant ethanolic extracts are gastroprotective. Only pH increased compared to the control group. Piper attenuatum ethanolic extract is the most gastroprotective at 200 mg/kg. Extracts were phytochemically and analytically assessed. Phytochemical screening demonstrates that plant extracts contain alkaloids, amides, glucose, proteins, glycosides, steroids, flavonoids, etc. This research suggests that phytoconstituents may have anti-ulcer potential, although structural elucidation of bioactive chemicals is needed. Molecular docking showed better binding affinity versus the 3D structure of pig gastric H+/K+ ATPase isoforms phytoconstituents Cepharadione A, Cepharadione B, Guineensine, Norcepharadione B, and Piperlonguminine. With these significant results, it may be a drug in the future.","PeriodicalId":10942,"journal":{"name":"Current Chemistry Letters","volume":"1 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"82397735","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-01-01DOI: 10.5267/j.ccl.2023.3.004
S. Kemskyi, M. Fedoriv, A. Palamar, A. Grozav, V. Chornous, R. Kutsyk, V. Dorokhov, M. Vovk
A series of new derivatives of 3-(pyrrol-4-yl)acrylamides 3a-l with the pyrrole nucleus functionalized by chlorine atoms and ester group, have been synthesized by simple preparative methods from the available esters of 5-chloro-4-formylpyrrol-3-carboxylic acids 1a-e. At first, 3-(pyrrol-4-yl)acrylic acids 2a-e were synthesized by the Knoevenagel’s reaction between malonic acid and the esters 1a-e. Then the target compounds were obtained with a high yield in the reactions between chloroanhydrides of the synthesized acrylic acids and aromatic or aliphatic amines in the boiling benzene. The structure of all obtained compounds was confirmed by elemental analysis, IR, 1H-NMR, and 13C-NMR spectroscopy, and additionally checked by the mass-spectrometry. Then the antimicrobial activity of all amides was tested in vitro on some gram-positive and gram-negative bacteria and fungi. It has been found that the gram-negative bacteria are resistant against the synthesized chemicals, while the gram-positive bacteria are sensitive to the amides 3с, e, f, g, i. The highest activity against Staphylococcus aureus MR and Staphylococcus epidermidis MS was registered for the amide 3f, and the retardation area diameter for this amide was greater than that for the control drugs.
{"title":"Synthesis and evaluation of antimicrobial activity of some new 3-(pyrrol-4-yl)acrylamide derivatives","authors":"S. Kemskyi, M. Fedoriv, A. Palamar, A. Grozav, V. Chornous, R. Kutsyk, V. Dorokhov, M. Vovk","doi":"10.5267/j.ccl.2023.3.004","DOIUrl":"https://doi.org/10.5267/j.ccl.2023.3.004","url":null,"abstract":"A series of new derivatives of 3-(pyrrol-4-yl)acrylamides 3a-l with the pyrrole nucleus functionalized by chlorine atoms and ester group, have been synthesized by simple preparative methods from the available esters of 5-chloro-4-formylpyrrol-3-carboxylic acids 1a-e. At first, 3-(pyrrol-4-yl)acrylic acids 2a-e were synthesized by the Knoevenagel’s reaction between malonic acid and the esters 1a-e. Then the target compounds were obtained with a high yield in the reactions between chloroanhydrides of the synthesized acrylic acids and aromatic or aliphatic amines in the boiling benzene. The structure of all obtained compounds was confirmed by elemental analysis, IR, 1H-NMR, and 13C-NMR spectroscopy, and additionally checked by the mass-spectrometry. Then the antimicrobial activity of all amides was tested in vitro on some gram-positive and gram-negative bacteria and fungi. It has been found that the gram-negative bacteria are resistant against the synthesized chemicals, while the gram-positive bacteria are sensitive to the amides 3с, e, f, g, i. The highest activity against Staphylococcus aureus MR and Staphylococcus epidermidis MS was registered for the amide 3f, and the retardation area diameter for this amide was greater than that for the control drugs.","PeriodicalId":10942,"journal":{"name":"Current Chemistry Letters","volume":"67 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"87510232","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-01-01DOI: 10.5267/j.ccl.2022.8.001
Venkata Kishore Babu Chukka, Venkata Ramana Kokkiligadda, R. Brahmaji, H. Bollikolla
The aim of this study was the investigation of how adsorbents made from Leucaena leucocephala (L. Leu) leaf and bark materials were effective in treating wastewater containing methyl red dye (MeReD). The functional groups in the phytochemical elements from the bark and leaves of L.Leu offer active surface sites and enable the adsorption mechanism. The investigations were done in batch mode. Contact time, adsorbent dose concentration, temperature, pH, and initial MeReD concentration were all examined as significant parameters impacting the sorption process. The study found that significant MeReD removal efficiency was achieved after 90 min of contact time, pH 4.0 units, 1.2 gm/L adsorbent dose concentration, 100 ppm initial MeReD quantity, and 30 oC temperature. The developed adsorbents were applied to samples gathered from dye companies in Hyderabad and Guntur. The extraction of MeReD (81.2% to 90.0%) from untreated wastewater contaminated with MeReD using developed adsorbents was very efficient.
研究了以银合欢(Leucaena leucocephala, L. Leu)叶和树皮为原料制备的吸附剂对含甲基红染料(meed)废水的处理效果。植物化学元素中的官能团提供了活性的表面位点，并实现了吸附机制。调查是以批处理的方式进行的。接触时间、吸附剂剂量浓度、温度、pH和初始meed浓度都是影响吸附过程的重要参数。研究发现，在接触时间90 min, pH为4.0单位，吸附剂剂量浓度为1.2 gm/L，初始meed量为100 ppm，温度为30℃的条件下，meed的去除效率显著。所开发的吸附剂应用于从海得拉巴和贡图尔染料公司收集的样品。利用所研制的吸附剂，对meed的萃取率达到81.2% ~ 90.0%。
{"title":"Evaluation of methyl red removal potential of adsorbents made from Leucaena leucocephala leaf and bark materials","authors":"Venkata Kishore Babu Chukka, Venkata Ramana Kokkiligadda, R. Brahmaji, H. Bollikolla","doi":"10.5267/j.ccl.2022.8.001","DOIUrl":"https://doi.org/10.5267/j.ccl.2022.8.001","url":null,"abstract":"The aim of this study was the investigation of how adsorbents made from Leucaena leucocephala (L. Leu) leaf and bark materials were effective in treating wastewater containing methyl red dye (MeReD). The functional groups in the phytochemical elements from the bark and leaves of L.Leu offer active surface sites and enable the adsorption mechanism. The investigations were done in batch mode. Contact time, adsorbent dose concentration, temperature, pH, and initial MeReD concentration were all examined as significant parameters impacting the sorption process. The study found that significant MeReD removal efficiency was achieved after 90 min of contact time, pH 4.0 units, 1.2 gm/L adsorbent dose concentration, 100 ppm initial MeReD quantity, and 30 oC temperature. The developed adsorbents were applied to samples gathered from dye companies in Hyderabad and Guntur. The extraction of MeReD (81.2% to 90.0%) from untreated wastewater contaminated with MeReD using developed adsorbents was very efficient.","PeriodicalId":10942,"journal":{"name":"Current Chemistry Letters","volume":"95 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"86543585","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-01-01DOI: 10.5267/j.ccl.2023.4.002
S. Dubey, A. Shukla, R. Shukla
In the present work, Zn, Cu monometallic and bimetallic nanoparticles were synthesized using leaves extract of Borassus flabellifer. Plant extract acts as both surfactant and reducing agent. The synthesized nanoparticles were characterised by UV-Vis, XRD, FESEM, EDX, and HRTEM techniques. UV-Vis spectroscopy is used to monitor the synthesis of nanoparticles. XRD technique was used to confirm the amorphous nature of nanoparticles. The FESEM images demonstrate that the shape of the nanoparticles such as Zn monometallic (pseudo-spherical), Cu monometallic (rod), Zn-Cu bimetallic are (pseudo-spherical and rod-shaped). HRTEM images show the approximate size of the Zn, Cu monometallic and Zn-Cu bimetallic nanoparticles is 3.0 nm, 3.52 nm and 2.2 nm respectively. EDX spectra confirm the presence of Zn, Cu and O in the sample. Synthesized Zn, Cu monometallic nanoparticles, and Zn-Cu bimetallic nanoparticles were used to evaluate their possible antimicrobial, antidiabetic and antioxidant properties. Bimetallic nanoparticles displayed higher antioxidant, antidiabetic, and antimicrobial properties in the comparison of monometallic nanoparticles. The results suggest that Zn-Cu bimetallic nanoparticles have greater potential than monometallic nanoparticles.
{"title":"Green synthesis, characterization, and biological activities of Zn, Cu monometallic and bimetallic nanoparticles using Borassus flabellifer leaves extract","authors":"S. Dubey, A. Shukla, R. Shukla","doi":"10.5267/j.ccl.2023.4.002","DOIUrl":"https://doi.org/10.5267/j.ccl.2023.4.002","url":null,"abstract":"In the present work, Zn, Cu monometallic and bimetallic nanoparticles were synthesized using leaves extract of Borassus flabellifer. Plant extract acts as both surfactant and reducing agent. The synthesized nanoparticles were characterised by UV-Vis, XRD, FESEM, EDX, and HRTEM techniques. UV-Vis spectroscopy is used to monitor the synthesis of nanoparticles. XRD technique was used to confirm the amorphous nature of nanoparticles. The FESEM images demonstrate that the shape of the nanoparticles such as Zn monometallic (pseudo-spherical), Cu monometallic (rod), Zn-Cu bimetallic are (pseudo-spherical and rod-shaped). HRTEM images show the approximate size of the Zn, Cu monometallic and Zn-Cu bimetallic nanoparticles is 3.0 nm, 3.52 nm and 2.2 nm respectively. EDX spectra confirm the presence of Zn, Cu and O in the sample. Synthesized Zn, Cu monometallic nanoparticles, and Zn-Cu bimetallic nanoparticles were used to evaluate their possible antimicrobial, antidiabetic and antioxidant properties. Bimetallic nanoparticles displayed higher antioxidant, antidiabetic, and antimicrobial properties in the comparison of monometallic nanoparticles. The results suggest that Zn-Cu bimetallic nanoparticles have greater potential than monometallic nanoparticles.","PeriodicalId":10942,"journal":{"name":"Current Chemistry Letters","volume":"40 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"83637566","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-01-01DOI: 10.5267/j.ccl.2023.1.006
Omar M. Yassin, S. Ismail, M. Gameh, F. Khalil, Ezzat M. Ahmed
A field experiment was carried out to calculate the effect of thermal requirements and its relation to the yield and chemical content of sugar beet during two growing seasons in Upper Egypt. The temperature effects on sodium, potassium, and alpha - amino nitrogen contents. There was a high correlation between growing degree days (GDD) of three harvesting dates and three sugar beet varieties. The results indicated that increasing harvesting date increased roots and sugar yields.
{"title":"Effect of thermal requirements on chemical content of sugar beet and it’s reflecting on yield in Upper Egypt","authors":"Omar M. Yassin, S. Ismail, M. Gameh, F. Khalil, Ezzat M. Ahmed","doi":"10.5267/j.ccl.2023.1.006","DOIUrl":"https://doi.org/10.5267/j.ccl.2023.1.006","url":null,"abstract":"A field experiment was carried out to calculate the effect of thermal requirements and its relation to the yield and chemical content of sugar beet during two growing seasons in Upper Egypt. The temperature effects on sodium, potassium, and alpha - amino nitrogen contents. There was a high correlation between growing degree days (GDD) of three harvesting dates and three sugar beet varieties. The results indicated that increasing harvesting date increased roots and sugar yields.","PeriodicalId":10942,"journal":{"name":"Current Chemistry Letters","volume":"109 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"73504815","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-01-01DOI: 10.5267/j.ccl.2023.2.006
M. V. Gowda, B. Vinay, N. Maitra, S. Kumaraswamy, N. Lokanath
In the current study, the compound 4,4-dimethoxychalcone (DMC) was structurally studied and analyzed by in silico approach against Mpro to investigate its inhibitory potential. The molecular structure of the compound was confirmed by the single crystal X-ray diffraction studies. The crystal structure packing is characterized by various hydrogen bonds, C-H…π and π…π stacking. Intermolecular interactions are quantified by Hirshfeld surface analysis and the electronic structure was optimized by DFT calculations; results are in agreement with the experimental studies. Further, DMC was virtually screened against SARS-CoV-2 main protease (PDB-ID: 6LU7) using molecular docking, and molecular dynamics (MD) simulations to identify its inhibitory potential. A significant binding affinity exists between DMC and Mpro with a -6.00 kcal/mol binding energy. A MD simulation of 30ns was carried out; the results predict DMC possessing strong binding affinity and hydrogen-bonding interactions within the active site during the simulation period. Therefore, based on the results of the current investigation, it can be inferred that a DMC molecule may be able to inhibit Mpro of COVID-19.
{"title":"Crystal structure, DFT, molecular docking and dynamics simulation studies of 4,4-dimethoxychalcone","authors":"M. V. Gowda, B. Vinay, N. Maitra, S. Kumaraswamy, N. Lokanath","doi":"10.5267/j.ccl.2023.2.006","DOIUrl":"https://doi.org/10.5267/j.ccl.2023.2.006","url":null,"abstract":"In the current study, the compound 4,4-dimethoxychalcone (DMC) was structurally studied and analyzed by in silico approach against Mpro to investigate its inhibitory potential. The molecular structure of the compound was confirmed by the single crystal X-ray diffraction studies. The crystal structure packing is characterized by various hydrogen bonds, C-H…π and π…π stacking. Intermolecular interactions are quantified by Hirshfeld surface analysis and the electronic structure was optimized by DFT calculations; results are in agreement with the experimental studies. Further, DMC was virtually screened against SARS-CoV-2 main protease (PDB-ID: 6LU7) using molecular docking, and molecular dynamics (MD) simulations to identify its inhibitory potential. A significant binding affinity exists between DMC and Mpro with a -6.00 kcal/mol binding energy. A MD simulation of 30ns was carried out; the results predict DMC possessing strong binding affinity and hydrogen-bonding interactions within the active site during the simulation period. Therefore, based on the results of the current investigation, it can be inferred that a DMC molecule may be able to inhibit Mpro of COVID-19.","PeriodicalId":10942,"journal":{"name":"Current Chemistry Letters","volume":"43 1 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"75404975","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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