Bulletin of the Karaganda University. "Chemistry" series最新文献

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Mechanical and Thermal Properties of Biodegradable Composites Based on graft copolymer LLDPE-g-MA/Gelatin 基于接枝聚合物LLDPE-g-MA/明胶的可生物降解复合材料的力学和热性能
Bulletin of the Karaganda University. "Chemistry" series Pub Date : 2022-01-01 DOI: 10.31489/2022ch4/4-22-11
N. Normurodov, Q. Berdinazarov, M. Abdurazakov, N. Ashurov
{"title":"Mechanical and Thermal Properties of Biodegradable Composites Based on graft copolymer LLDPE-g-MA/Gelatin","authors":"N. Normurodov, Q. Berdinazarov, M. Abdurazakov, N. Ashurov","doi":"10.31489/2022ch4/4-22-11","DOIUrl":"https://doi.org/10.31489/2022ch4/4-22-11","url":null,"abstract":"The uncontrolled development of morphology at the stage of formation of biodegradable compositions based on synthetic and natural polymers limits the possibility of achieving satisfactory physical, mechanical and op-erational characteristics. In the present work, to achieve finely dispersed mixture morphology, an approach was proposed for reactive mixing of functionalized polyethylene with gelatin to form a linear low density polyethylene-grafted-maleic anhydride and gelatin (LLDPE-g-MA/GEL) graft copolymer. Using the selective extraction of the mixture components, we determined amount of graft copolymer LLDPE-g-MA/GEL, free gelatin, mechanical and thermal properties, as well as biodegradability data. It was found that as the amount of maleic groups in the polyethylene macromolecule increased, the amount of graft copolymer increased, and an increase in the content of gelatin in the blend led to a noticeable increase in the elastic modulus, tensile strength, and a decrease in elongation at break. Due to the degradation of gelatin, the thermal stability of the composite (initial temperature) decreased with increasing gelatin content. The maximum rate of destruction of the graft copolymer in the temperature range of 400–500 ºC increased markedly with an increase in the content of gelatin. It was found that the rate of biodegradability would increase with an increase in the content of gelatin in the blend; the maximum level of degradation was observed during the first 10 days and was more than 50 %. It was found that the maximum degree of grafting LLDPE-g-MA and gelatin to each other de-pended on the amount of maleic anhydride in the graft copolymer. The maximum degree of grafting was ob-served to be higher with increasing amount of maleic anhydride in the composites.","PeriodicalId":9421,"journal":{"name":"Bulletin of the Karaganda University. \"Chemistry\" series","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2022-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"87147797","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}
引用次数: 0
Synthesis and Antibacterial Activity of Hydrazones of Isonicotinic and Salicylic Acids Based on Acetyl Derivatives of Coumarin and Benzo[g][1,3,5]Oxadiazocine 香豆素和苯并乙酰基衍生物异烟酸和水杨酸腙的合成及其抑菌活性[j][1,3,5]恶二唑嗪
Bulletin of the Karaganda University. "Chemistry" series Pub Date : 2022-01-01 DOI: 10.31489/2022ch4/4-22-2
D.M. Turgunalieva, D.s. Dilbaryan, A. Vasilchenko, O. Nurkenov, S. Fazylov, G. Karipova, Т. Seilkhanov, I. Kulakov
{"title":"Synthesis and Antibacterial Activity of Hydrazones of Isonicotinic and Salicylic Acids Based on Acetyl Derivatives of Coumarin and Benzo[g][1,3,5]Oxadiazocine","authors":"D.M. Turgunalieva, D.s. Dilbaryan, A. Vasilchenko, O. Nurkenov, S. Fazylov, G. Karipova, Т. Seilkhanov, I. Kulakov","doi":"10.31489/2022ch4/4-22-2","DOIUrl":"https://doi.org/10.31489/2022ch4/4-22-2","url":null,"abstract":"In recent decades, the efforts of many researchers in the sphere of organic chemistry, physics and pharmacol-ogy have been focused on the search for new agents with pronounced antibacterial and especially antifungal activity. This is due to the widespread increase in the resistance of many bacterial strains and fungi to antibi-otics and antifungal drugs available in medical practice. In this regard, the number of works related to the synthesis of new potential antibiotics from the most diverse class of organic derivatives, which either include known pharmacophore groups or represent a new structural class of compounds with unknown and unex-plored activity, is increasing in the scientific literature. In this work, new previously undescribed hydrazones derivatives were obtained on the basis of physiologically active isonicotinic and salicylic acid hydroxides and laboratory-available acetyl-substituted heterocycles, namely 3-acetyl-2H-chromen-2-one 3, 2-acetyl-3H-benzo[f]chromen-3-one 4 and 2,6-methanobenzo[g][1,3,5]oxadiazocine 5. The obtained hydrazones structure is explicitly proved by IR and 1H, 13C NMR spectroscopy data. The synthesized six new hydrazones under-went biological screening for antibacterial and antifungal activity on strains of microorganisms, namely gram-positive bacterium Staphylococcus aureus 209P, gram-negative bacterium Pectobacterium carotovorum VKM-B1247, and yeast-like fungus Candida albicans ATCC 10231. Screening revealed three compounds with antimicrobial activity and one promising compound — (E)-2-hydroxy-N’-(1-(2-oxochroman-3-yl)ethylidene)benzohydrazide 9, which also exhibits antifungal activity along with antimicrobial activity.","PeriodicalId":9421,"journal":{"name":"Bulletin of the Karaganda University. \"Chemistry\" series","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2022-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"87836292","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}
引用次数: 0
Synthesis and Investigation of the Properties of Polymer-immobilized Silver- and Gold Nanoparticles 聚合物固定化银、金纳米颗粒的合成及性能研究
Bulletin of the Karaganda University. "Chemistry" series Pub Date : 2022-01-01 DOI: 10.31489/2022ch3/3-22-6
M. Burkeyev, S. R. Shibayeva, T. Khamitova, J. Plocek, M. Nurmaganbetova, A. Kazhmuratova, T. Zhumagalieva
{"title":"Synthesis and Investigation of the Properties of Polymer-immobilized Silver- and Gold Nanoparticles","authors":"M. Burkeyev, S. R. Shibayeva, T. Khamitova, J. Plocek, M. Nurmaganbetova, A. Kazhmuratova, T. Zhumagalieva","doi":"10.31489/2022ch3/3-22-6","DOIUrl":"https://doi.org/10.31489/2022ch3/3-22-6","url":null,"abstract":"Metal–polymer composites (MPC) based on copolymers of polypropylene glycol maleate phthalate with acrylic acid and metallic gold and silver were synthesized for the first time. The structure of nanocomposites is characterized with the help of microscopy and spectroscopy. Antimicrobial activity of novel metal-polymeric complexes on the basis of silver and gold was studied. Metal-polymeric complexes were stabilized for the first time with polymeric matrix based on the copolymers of polypropyleneglycolmaleatephthalate with acrylic acid (p-PGMPh/AA:Ag, p-PGMPh/AA:Au). Obtained nanocomposites contain the nanoparticles of silver and gold of rhomboidal and cylindrical shapes with the sizes of 40–50 and 35–50 nm corresponding-ly. The size of more than 80 % of the nanoparticles are from 20 to 50 nm and has a spherical and rhombic shape. For determination of antimicrobial activity of the MPC the reference test-microorganisms such as fac-ultative-anaerobe gram-positive Staphylococcus aureus, aerobic gram-positive spore-forming Bacillus subtilis, gram-negative facultative anaerobe of Escheriсhia coli, aerobic Pseudomonas aeruginosa and yeast fungi Сandida albicans have been used. The resulting nanocomposites are stable and promising for the crea-tion of new photochromic and nonlinear optical materials, as well as for using in medicine in the development of antiseptic and antimicrobial materials that are needed during a pandemic.","PeriodicalId":9421,"journal":{"name":"Bulletin of the Karaganda University. \"Chemistry\" series","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2022-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"85331706","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}
引用次数: 0
Influence of the RAFT Agent on the Reaction Direction of the Copolymerization of Polypropylene Glycol Maleate with Acrylic Acid RAFT剂对马来酸丙二醇与丙烯酸共聚反应方向的影响
Bulletin of the Karaganda University. "Chemistry" series Pub Date : 2022-01-01 DOI: 10.31489/2022ch3/3-22-10
A. Kazhmuratova, M. Zhunissova, J. Plocek, V. Fomin, A. Sarsenbekova, T. Khamitova
{"title":"Influence of the RAFT Agent on the Reaction Direction of the Copolymerization of Polypropylene Glycol Maleate with Acrylic Acid","authors":"A. Kazhmuratova, M. Zhunissova, J. Plocek, V. Fomin, A. Sarsenbekova, T. Khamitova","doi":"10.31489/2022ch3/3-22-10","DOIUrl":"https://doi.org/10.31489/2022ch3/3-22-10","url":null,"abstract":"This work demonstrates the capability of synthesizing new polymers on the basis of unsaturated polyester and acrylic acid in the presence of a chain-transfer agent in a dioxane solution. The initial unsaturated polyester resin was derived from the polycondensation reaction of alcohol and maleic anhydride. The molecular weight of the polypropylene glycol maleate was determined by gel permeation chromatography. The dependence of the structure, network density and product yield on the concentration of the RAFT agent was proven. It was found that the greater the amount of chain-transfer agent in the monomer mixture, the lower the yield of the crosslinked polymer and the greater the yield of the branched copolymer. The composition of the studied co-polymers was determined by FTIR spectroscopy in conjunction with the chemometric method of partial list squares in the R environment. The synthesized objects were characterized by infrared spectroscopy methods and were approximated by Gaussian contours. The results of this study show that the RAFT agent concentra-tion as well as the initial ratio of monomers in the copolymer affect the products yield. The surface topogra-phy of the studied copolymers was recorded by scanning electron microscopy. The molecular chain structure of the branched copolymers was confirmed by NMR spectroscopy.","PeriodicalId":9421,"journal":{"name":"Bulletin of the Karaganda University. \"Chemistry\" series","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2022-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"81358486","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}
引用次数: 0
Encapsulation of Isoniazid in Polylactide-Co-Glycolide Nanoparticles by Nanoprecipitation 用纳米沉淀法包封异烟肼
Bulletin of the Karaganda University. "Chemistry" series Pub Date : 2022-01-01 DOI: 10.31489/2022ch3/3-22-17
A. Galiyeva, Y. Tazhbayev, T. Zhumagaliyeva, A.Т. Daribay
{"title":"Encapsulation of Isoniazid in Polylactide-Co-Glycolide Nanoparticles by Nanoprecipitation","authors":"A. Galiyeva, Y. Tazhbayev, T. Zhumagaliyeva, A.Т. Daribay","doi":"10.31489/2022ch3/3-22-17","DOIUrl":"https://doi.org/10.31489/2022ch3/3-22-17","url":null,"abstract":"The use of polymeric materials as drug carriers has several advantages, such as prolongation of drug action, reduction of drug side effects. In this study, we have considered the methods for the preparation of polylac-tide-co-glycolide (PLGA) polymeric nanoparticles with the anti-tuberculosis drug (ATD) isoniazid by nano-precipitation. Polymeric nanocarriers were obtained by varying individual parameters such as nature of sol-vent and non-solvent, drug/polymer ratio, and stabilizer concentration. It was determined that the average par-ticle size depends on the type of non-solvent. When alcohols were used, the average size increased in the se-quence: ethanol < isopropanol < isobutanol. The type of solvent is an important factor for the formation of nanoparticles and their final characteristics. With an increase in the drug/polymer ratio, the average size of nanoparticles also increased. The size of obtained nanoparticles varied from 93 to 869 nm. Thermogravi-metric and differential scanning calorimetry analyses were carried out to confirm the incorporation of the drug into the polymer matrix. In addition, polymer degradation and the degree of release of isoniazid from the polymeric matrix at different pH were studied. It has been shown that the nanoprecipitation method can be used not only for hydrophobic, but also for hydrophilic drugs.","PeriodicalId":9421,"journal":{"name":"Bulletin of the Karaganda University. \"Chemistry\" series","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2022-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"82857844","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}
引用次数: 0
Temperature and Salt Responsivity of Anionic, Cationic and Amphoteric Nanogels Based on N-Isopropylacrylamide, 2-Acrylamido-2-Methyl-1-Propanesulfonic Acid Sodium Salt and (3-Acrylamidopropyl) Trimethylammonium Chloride 基于n -异丙基丙烯酰胺、2-丙烯酰胺-2-甲基-1-丙磺酸钠盐和(3-丙烯酰胺丙基)三甲氯化铵的阴离子、阳离子和两性纳米凝胶的温度和盐响应性
Bulletin of the Karaganda University. "Chemistry" series Pub Date : 2022-01-01 DOI: 10.31489/2022ch4/4-22-15
Aigerim Ayazbayeva, A. Shakhvorostov, S. Kudaibergenov
{"title":"Temperature and Salt Responsivity of Anionic, Cationic and Amphoteric Nanogels Based on N-Isopropylacrylamide, 2-Acrylamido-2-Methyl-1-Propanesulfonic Acid Sodium Salt and (3-Acrylamidopropyl) Trimethylammonium Chloride","authors":"Aigerim Ayazbayeva, A. Shakhvorostov, S. Kudaibergenov","doi":"10.31489/2022ch4/4-22-15","DOIUrl":"https://doi.org/10.31489/2022ch4/4-22-15","url":null,"abstract":"Three different nanogels possessing anionic, cationic and amphoteric character were synthesized via conven-tional redox initiated free radical copolymerization of N-isopropylacrylamide (NIPAM), 2-acrylamido-2-methyl-1-propanesulfonic acid sodium salt (AMPS) and (3-acrylamidopropyl) trimethylammonium chloride (APTAC). The negatively charged [NIPAM]:[AMPS] = 90:10 mol.%, positively charged [NIPAM]:[APTAC] = = 90:10 mol.%, and charge-balanced amphoteric nanogels [NIPAM]:[APTAC]:[AMPS] = 90:5:5 mol.% ab-breviated as NIPAM90-AMPS10, NIPAM90-APTAC10, and NIPAM90-APTAC5-AMPS5, respectively, were characterized by FTIR spectroscopy, TGA, UV-Vis spectroscopy and DLS measurements. The temperature and salt responsive properties of nanogels in aqueous and aqueous-salt solutions were studied in the tempera-ture range of 25–60 °C and ionic strength (μ) of 0.001–1.0 M NaCl. Anionic NIPAM90-AMPS10 and cationic NIPAM90-APTAC10 nanogels, exhibit a pronounced polyelectrolyte effect in aqueous-salt solution due to screening of the negative or positive charges by low-molecular-weight salt. Whereas the charge-balanced amphoteric nanogel NIPAM90-APTAC5-AMPS5 exhibits an antipolyelectrolyte effect due to the screening of electrostatic attraction between opposite charges by low-molecular-weight salt. The difference between the temperature-dependent behaviors of anionic, cationic and amphoteric nanogels is explained by shrinking (polyelectrolyte effect) and expanding (antipolyelectrolyte effect) of macromolecular chains in aqueous-salt solutions.","PeriodicalId":9421,"journal":{"name":"Bulletin of the Karaganda University. \"Chemistry\" series","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2022-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"82985216","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}
引用次数: 0
Novel Titanium-Manganites of Lanthanum and Alkali Metals 镧和碱金属的新型钛锰酸盐
Bulletin of the Karaganda University. "Chemistry" series Pub Date : 2022-01-01 DOI: 10.31489/2022ch4/4-22-6
B. K. Kasenov, Sh. B. Kasenova, Zh. I. Sagintaeva, S. Baisanov, Ning Lu, E. E. Kuanyshbekov, M. Turtubaeva, M. Isabaeva
{"title":"Novel Titanium-Manganites of Lanthanum and Alkali Metals","authors":"B. K. Kasenov, Sh. B. Kasenova, Zh. I. Sagintaeva, S. Baisanov, Ning Lu, E. E. Kuanyshbekov, M. Turtubaeva, M. Isabaeva","doi":"10.31489/2022ch4/4-22-6","DOIUrl":"https://doi.org/10.31489/2022ch4/4-22-6","url":null,"abstract":"The titanium-manganites of LaMeI2TiMnO6 (MeI — Li, Na, K) have been synthesized by the ceramic tech-nology with the high-temperature reaction of oxides of La2O3, TiO2, Mn2O3 with carbonates of Li2CO3, Na2CO3, K2CO3 within 800–1200 ºС. The X-ray diffraction methods demonstrated that all of them have been crystallized in the cubic syngony with the lattice parameters such as LaLi2TiMnO6 — а = 13.480.02 Å, Vo = 2449.460.06 Å3, Z = 4, Voel.cell = 612.870.02 Å3, roent. = 3.81; pick. = 3.780.03 g/cm3; LaNa2TiMnO6 — а = 14.060.02 Å, Vo = 2779.430,06 Å3, Z = 4, Voel.cell = 694.960.02 Å3, roent. = 3.67; pick. = 3.650.01 g/cm3; LaK2TiMnO6 — а = 14.740.02 Å, Vo = 3202.520.06 Å3, Z = 4, Voel.cell = 800.520.02 Å3, roent. = 3.45;  pick. = 3.430.01 g/cm3. Correctness and authenticity of the results on the indexing of X-ray photographs of titanium-manganite have been confirmed with the good experimental and calculated values (104/d2), the pycnometric and X-ray densities, and also the theoretical and experimental values of cell volumes. The rising of values of the lattice parameters of the synthesized titanium-manganites has been determined with increas-ing in the ionic radii from Li to K.","PeriodicalId":9421,"journal":{"name":"Bulletin of the Karaganda University. \"Chemistry\" series","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2022-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"82404521","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}
引用次数: 1
DFT Study of Chitosan Ascorbate Nanoparticles Structure 壳聚糖抗坏血酸纳米颗粒结构的DFT研究
Bulletin of the Karaganda University. "Chemistry" series Pub Date : 2022-01-01 DOI: 10.31489/2022ch3/3-22-3
I. Nurgaliev
{"title":"DFT Study of Chitosan Ascorbate Nanoparticles Structure","authors":"I. Nurgaliev","doi":"10.31489/2022ch3/3-22-3","DOIUrl":"https://doi.org/10.31489/2022ch3/3-22-3","url":null,"abstract":"In recent years, use of chitosan (CS) nanoparticles as nanocarriers has received much attention due to their biodegradability, biocompatibility and non-toxicity. CS nanoparticles containing drugs, flavors, enzymes and antimicrobial agents can maintain their activity. Such nanoparticles can stimulate the stabilization of ascorbic acid (AA) and improve controlled release. This study investigates the interaction of CS monomer with AA and sodium tripolyphosphate (TPP) using density functional theory (DFT) during the formation of chitosan ascorbate (CA) nanostructure (CAN). On the basis of existing results, the formation of the CS monomer from the complexes occurs due to the donor-acceptor interaction, which is energetically favorable in all considered interactions according to the calculations. At close range, proton transfer has been identified with interaction energies, namely CS-AА (-6.82 kcal/mol), CS-TPP (-4.56 kcal/mol) in the aqueous phase, which indicates that in the process of CAN formation, in most cases, the formation of a donor-acceptor bond occurs between the amino groups of CS with the enol group of AA and the relative coordination of CS with TPP. The introduction of the aqueous phase led to a drop in the interaction energy. On the basis of our results for the linking types (interaction energies), we propose a simple mechanism for their impact on the CAN formation process.","PeriodicalId":9421,"journal":{"name":"Bulletin of the Karaganda University. \"Chemistry\" series","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2022-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"90236060","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}
引用次数: 0
Prospective Hybrid Molecules with Dual Anti-Viral and Anti-Thrombotic Activity Against the SARS- CoV-2 Infection and Its Associated Complications Employing in Silico Studies 具有抗SARS- CoV-2感染及其相关并发症双重抗病毒和抗血栓活性的前瞻性杂交分子在计算机研究中的应用
Bulletin of the Karaganda University. "Chemistry" series Pub Date : 2022-01-01 DOI: 10.31489/2022ch4/4-22-8
R. Bhimanwar, A. Thomas, L. Kothapalli, A. Godse, S. Gandhi, S. Chandani, G. More, G. Jadhav, S. Choudhary
{"title":"Prospective Hybrid Molecules with Dual Anti-Viral and Anti-Thrombotic Activity Against the SARS- CoV-2 Infection and Its Associated Complications Employing in Silico Studies","authors":"R. Bhimanwar, A. Thomas, L. Kothapalli, A. Godse, S. Gandhi, S. Chandani, G. More, G. Jadhav, S. Choudhary","doi":"10.31489/2022ch4/4-22-8","DOIUrl":"https://doi.org/10.31489/2022ch4/4-22-8","url":null,"abstract":"Covid-19, a SARS-CoV virus-based disease, was identified in Wuhan, China, in December 2019. Initially, it was considered just an infection of the respiratory system, but due to its transmittable nature, it was declared a pandemic. A variety of treatment options were implemented, including antivirals like remdesvir, favipiravir along with vitamins and antioxidants. Further investigations revealed that the Covid-19 infection results in thrombotic cardiovascular complications, which are the major concern for the increased mortality associated with this disease. This study investigates the in Silico design of hybrid molecules with antiviral and an-tithrombotic properties. A docking study was performed using Autodock Vina software, and binding energies of the designed compounds were determined for papain-like protease (PDB: 3E9S) and 3-chymotrypsin-like cysteine protease (PDB: 6LU7). The docked poses and amino acids interactions were verified using Biovia Discovery studio 4.5. The binding energies of all designed compounds were compared with the standards, Compound RL1 (2-(5-(3-carbamoyl-1H-1,2,4-triazol-1-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methoxy)-carbonyl)amino)(hydroxy)methyl)carbamoyl)phenyl acetate) and Compound FL2 (8-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxochroman-6-yl(2-(6-flouro-3-oxo-3,4-dihydropyrazine-2-carboxamido)-1-hydroxy-3-phenylpropyl)carbamate) proved to be promising agents with strong binding interactions. Hybrid molecules that inhibit viral replication, possibly as transition state inhibitors, may be investigated further for use in the treatment of SARS-Co-V infection and its associated complications.","PeriodicalId":9421,"journal":{"name":"Bulletin of the Karaganda University. \"Chemistry\" series","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2022-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"80192531","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}
引用次数: 0
Electrochemical Method for Producing a TiO2 Film with Photocatalytic Properties 制备具有光催化性能的TiO2薄膜的电化学方法
Bulletin of the Karaganda University. "Chemistry" series Pub Date : 2022-01-01 DOI: 10.31489/2022ch4/4-22-10
A. Bayeshov, A. Kadirbayeva, A. Bayeshova, A. Zharmenov
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