International Journal of Pharmacy and Chemistry最新文献

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Microbial and Heavy Metal Contaminants in Herbal Preparations Sold in Maseru, Lesotho 在莱索托马塞卢出售的草药制剂中的微生物和重金属污染物
International Journal of Pharmacy and Chemistry Pub Date : 2021-01-01 DOI: 10.11648/j.ijpc.20210704.13
Relebohile Mautsoe, Taelo Noko, Oriel Hlokoane
{"title":"Microbial and Heavy Metal Contaminants in Herbal Preparations Sold in Maseru, Lesotho","authors":"Relebohile Mautsoe, Taelo Noko, Oriel Hlokoane","doi":"10.11648/j.ijpc.20210704.13","DOIUrl":"https://doi.org/10.11648/j.ijpc.20210704.13","url":null,"abstract":": The majority of the populations, both from developed and developing countries, use herbal preparations for primary healthcare purposes. In particular, the use of herbal preparations in Lesotho is high due to inadequate healthcare facilities and inaccessibility of healthcare services. Herbal preparations are inexpensive, easily accessible and culturally accepted than conventional medicines. Although herbal preparations are popularly used, they could be contaminated with pathogenic microbes, toxic heavy metals and non-metals, agrochemical residues, mycotoxins and endotoxins and, thus World Health Organization (WHO) recommends that herbal preparations should be evaluated for safety, efficacy and potency so as to protect the consumers. This study was, therefore, designed to evaluate heavy metals and microbial contaminants in some of the commercially available herbal preparations in Maseru, Lesotho. A total of five herbal preparations were randomly purchased from different areas of Maseru at market price and were subjected to toxic heavy metals and microbial load analysis in accordance to International pharmacopeia and European pharmacopeia. Antimicrobial sensitivity test was performed to the isolated microorganisms. Our results revealed that all of the five herbal preparations were found to be contaminated with fungi beyond WHO limit, 10 3 CFU/ml. Pseudomonas aeruginosa was also isolated in all the five herbal preparations. The isolated P. aeruginosa was found to be susceptible to ciprofloxacin and ceftriaxone, clinically used antibiotics. There was no growth of Staphylococcus aureus , Escherichia coli and Klebsiella pneumonia from all the five herbal preparations. Again, total coliform count in three samples exceeded 10 3 CFU/ml, WHO safety limits. Finally, all herbal preparations complied with the limit test for chlorides; however, only two herbal preparations complied with the limit tests for total heavy metals, less than 20ppm. Therefore, this study reports and concludes that herbal preparations sold in Maseru could be contaminated with pathogenic microorganisms, acid radical’s impurities and toxic heavy metal metals. The testing of herbal preparations for microbial and heavy metal contaminants is highly recommended and, may become mandatory.","PeriodicalId":14230,"journal":{"name":"International Journal of Pharmacy and Chemistry","volume":"76 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"86487690","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
A Review: Sample Preparation Methods for the Pesticide Residue Analysis in Food Samples 食品中农药残留分析的制样方法综述
International Journal of Pharmacy and Chemistry Pub Date : 2020-11-11 DOI: 10.11648/J.IJPC.20200606.11
Shibiru Eticha
{"title":"A Review: Sample Preparation Methods for the Pesticide Residue Analysis in Food Samples","authors":"Shibiru Eticha","doi":"10.11648/J.IJPC.20200606.11","DOIUrl":"https://doi.org/10.11648/J.IJPC.20200606.11","url":null,"abstract":"The pesticide residues in foods have received increasing attention as one of the most important food safety issues. Therefore, more strict regulations on the maximum residue limits (MRLs) for pesticides in foods have been established in many countries and health organizations, based on the sensitive and reliable analysis methods of pesticide residues. However, the analysis of pesticide residues is a continuing challenge mainly because of the small quantities of analytes as well as the large amounts of interfering substances which can be co-extracted with them, often leading to experimental errors and damage to the Analytical instruments. Thus, extensive sample preparation is often required for the pesticide residue analysis for the effective extraction of the analytes and removal of the interferences. This paper focuses on reviewing the recent development in the sample preparation methods for the pesticide residue analysis in some food samples. The methods include: Liquid-Liquid extraction (LLE), Solid-Phase extraction (SPE), Matrix Solid-Phase Dispersion (MSPD), Solid-Phase Micro-extraction (SPME), QuEChERS, and Liquid Phase Micro-extraction (LPME).","PeriodicalId":14230,"journal":{"name":"International Journal of Pharmacy and Chemistry","volume":"48 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2020-11-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"88938492","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: 2
Duodenal Villous Atrophy and Diarrhea Associated with Chronic Olmesartan Intake 十二指肠绒毛萎缩和腹泻与慢性奥美沙坦摄入有关
International Journal of Pharmacy and Chemistry Pub Date : 2019-12-07 DOI: 10.11648/J.IJPC.20190506.12
G. Colombo, R. Rossio, B. Ferrari, L. Runza, P. Flora
{"title":"Duodenal Villous Atrophy and Diarrhea Associated with Chronic Olmesartan Intake","authors":"G. Colombo, R. Rossio, B. Ferrari, L. Runza, P. Flora","doi":"10.11648/J.IJPC.20190506.12","DOIUrl":"https://doi.org/10.11648/J.IJPC.20190506.12","url":null,"abstract":"Olmesartan is an angiotensin II receptor blocker (ARB) approved for the treatment of hypertension since 2002. Olmesartan-associated enteropathy (OAE), first described in 2012 by Rubio-Tapia, has seldom been considered as a diagnosis in patients with villous atrophy and negative serology for celiac disease. The clinical presentation could be extremely heterogenous. In contrast to celiac disease, there is no response to a gluten-free diet. The exact mechanism of intestinal injury still remains unknown. The histological pattern, at the upper gastrointestinal endoscopy, usually reveals a variable degree of villous atrophy and a moderate infiltration of lymphocytes at mucosal level. Symptoms usually improve upon olmesartan discontinuation and the repeat endoscopy could demonstrate complete resolution of inflammatory change with normal villous architecture. The differential diagnosis for this kind of clinical and pathological features include celiac disease, tropical sprue, autoimmune enteropathy, inflammatory bowel disease, and drug induced enteropathy. With this background, we report the case of a patient with a clinical picture compatible with seronegative celiac disease and symptoms that rapidly improved clinically and histologically after olmesartan discontinuation. In conclusion, although this condition is rare, physicians should be consider this medication in the differential diagnosis of this enteropathy.","PeriodicalId":14230,"journal":{"name":"International Journal of Pharmacy and Chemistry","volume":"10 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2019-12-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"74011027","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
Study of Rubus Idaeus Juice Ellagitannins and Its Antimicrobial Activity 红草汁鞣花单宁及其抑菌活性的研究
International Journal of Pharmacy and Chemistry Pub Date : 2019-11-13 DOI: 10.11648/J.IJPC.20190506.11
I. Polischuk, M. Komisarenko, T. Upyr, A. Kovaleva, A. Komisarenko
{"title":"Study of Rubus Idaeus Juice Ellagitannins and Its Antimicrobial Activity","authors":"I. Polischuk, M. Komisarenko, T. Upyr, A. Kovaleva, A. Komisarenko","doi":"10.11648/J.IJPC.20190506.11","DOIUrl":"https://doi.org/10.11648/J.IJPC.20190506.11","url":null,"abstract":"Medicines on the basis of herbs are increasingly used for treating of many diseases, providing the following actions antimicrobial, antiviral, anticancer, anti-enzymatic and immunomodulatory. Ellagitannins are a group of polyphenolic compounds of plant origin, which exhibiting a strong antibacterial effect in virtue of their ability to form a bond with the microbial membrane. Raspberry contains a large amount of ellagitannins, so it is advisable to study their composition and content in raspberry juice, obtained in Ukraine and determine its antimicrobial activity. As raw material Ukrainian variety ‘Phenomenon’ was taken for the research. It was bred in 1991 in Kharkiv region by crossing the varieties ‘Stolichnaya’ and ‘Odarka’. Analysis of raspberry juice ellagitannins was performed by HPLC method. 4 ellagic acid derivatives were identified and their contents were established. Unbound ellagic acid (55% of all) and sanguiin H-6 (21% of all) had the highest content among them Antimicrobial activity of raspberry juice was studied by agar diffusion method. The juice showed antimicrobial activity against Staphylococcus aureus, Escherichia coli, Proteus vulgaris, Pseudomonas aeruginosa, Bacillus subtilis and Candida albicans. The antimicrobial activity of the juice was higher than the comparison drug \" Chlorophyllipt \" for more than twice in relation to all strains. The greatest effect was manifested relative to Staphylococcus aureus, which can be the cause of purulent-inflammatory processes in almost all human organs with severe consequences. This is especially true in connection with the increasing resistance of strains not only to traditional antibiotics, but also to new groups.","PeriodicalId":14230,"journal":{"name":"International Journal of Pharmacy and Chemistry","volume":"11 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2019-11-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"80878992","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
Microscopic Studies, Phytochemical and Biological Screenings of Ocimum canum 茴香的显微研究、植物化学和生物学筛选
International Journal of Pharmacy and Chemistry Pub Date : 2019-10-26 DOI: 10.11648/j.ijpc.20190505.13
D. Tshilanda, C. L. Inkoto, Kashala Mpongu, S. Mata, P. K. Mutwale, D. Tshibangu, G. Bongo, N. Koto-te-Nyiwa, P. Mpiana
{"title":"Microscopic Studies, Phytochemical and Biological Screenings of Ocimum canum","authors":"D. Tshilanda, C. L. Inkoto, Kashala Mpongu, S. Mata, P. K. Mutwale, D. Tshibangu, G. Bongo, N. Koto-te-Nyiwa, P. Mpiana","doi":"10.11648/j.ijpc.20190505.13","DOIUrl":"https://doi.org/10.11648/j.ijpc.20190505.13","url":null,"abstract":"It has been reported that more than 80% of the African population uses traditional medicine to primary healthcare. The aim of the study was to determine the histological elements, the phytochemical composition and evaluate the bioactivities of Ocimum canum in order to promote this plant used in Congolese traditional medicine. The earthworms were collected from the ponds of the secondary forest of Monastere Prieure Notre Dame de l’Assomption in Kinshasa city and the blood used in this study was provided by the Centre de Medecine Mixte et d’Anemie SS in Yolo-Sud quarter, Kinshasa, Democratic Republic of the Congo. The histological elements were determined by microscopic examination while different metabolites were determined using thin layer chromatography. Microscopic examination revealed the presence of crystalliferous fibres, fragment of parenchyma, grandular and non-glandular pluricellular trichomes, spheroidal pollen grains, diacytic stomata, spiral vessels. With regard to chromatographic analysis, phytochemicals identified were anthocyanins, coumarins, flavonoids, terpenoids and iridoids. The extracts from O. canum showed good antihelminthic, antisickling and antioxidant activities related to their phytochemicalsAll these findings constitute a scientific evidence validating the use of this medicinal plant for the management of various ailments in the Democratic Republic of the Congo.","PeriodicalId":14230,"journal":{"name":"International Journal of Pharmacy and Chemistry","volume":"33 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2019-10-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"80108885","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: 12
Physico-chemical Quality Assessment of Palm Kernel Oil During Storage at Room Temperature and Shelter of Light 棕榈仁油常温避光贮藏期间理化品质评价
International Journal of Pharmacy and Chemistry Pub Date : 2019-10-21 DOI: 10.11648/j.ijpc.20190505.12
Gadegbe Afiwa Viviane, Bakoma Batomayena, Novidzro Kosi Mawuéna, Dotse Kokouvi, Mélila Mamatchi
{"title":"Physico-chemical Quality Assessment of Palm Kernel Oil During Storage at Room Temperature and Shelter of Light","authors":"Gadegbe Afiwa Viviane, Bakoma Batomayena, Novidzro Kosi Mawuéna, Dotse Kokouvi, Mélila Mamatchi","doi":"10.11648/j.ijpc.20190505.12","DOIUrl":"https://doi.org/10.11648/j.ijpc.20190505.12","url":null,"abstract":"Vegetable oils, including palm kernel oil, are an important part of the human diet. However, traditional methods of storing them often do not take into account changes in quality. In addition, these are food products whose rancidity by auto-oxidation could affect the health of the consumer. The objective of this work is to evaluate the physico-chemical quality of palm kernel oil during storage at room temperature and away from light. The palm kernel oil samples were collected in plastic containers under strict hygienic conditions, wrapped in aluminium foil and stored at ambient temperature away from light. Physico-chemical parameters were determined for fresh samples and for samples stored after 180 days. The results showed that after 180 days, the oils analysed showed the onset of oxidation. However, the characteristics after 180 days of storage indicate that the oils still have a relatively acceptable quality compared to Codex Alimentarius standards, concomitantly with the high content of saturated fatty acids. Thus, away from light, palm kernel oils could be stored for six months at ambient temperature with a lower risk of rancidity. However, the relative deterioration observed after 180 days of storage requires precautions in the conservation of palm kernel oils produced in Togo.","PeriodicalId":14230,"journal":{"name":"International Journal of Pharmacy and Chemistry","volume":"97 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2019-10-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"80110273","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: 2
Study on Dissociation Equilibria of Eberconazole Nitrate in Micellar Media by Spectrophotometry 分光光度法研究硝酸依伯康唑在胶束介质中的解离平衡
International Journal of Pharmacy and Chemistry Pub Date : 2019-10-11 DOI: 10.11648/J.IJPC.20190505.11
M. V. Krishna, S. A. Idris, G. Madhavi, B. J. Reddy, M. Sowhardhra, D. Sankar
{"title":"Study on Dissociation Equilibria of Eberconazole Nitrate in Micellar Media by Spectrophotometry","authors":"M. V. Krishna, S. A. Idris, G. Madhavi, B. J. Reddy, M. Sowhardhra, D. Sankar","doi":"10.11648/J.IJPC.20190505.11","DOIUrl":"https://doi.org/10.11648/J.IJPC.20190505.11","url":null,"abstract":"The equilibrium dissociation constant (KD) is the basic parameter to evaluate the binding property of the chemical structure of compounds. Thus, a variety of analytical methods have been established to determine the KD values, including radioligand binding assay, surface plasmon resonance method, fluorescence energy resonance transfer method, affinity chromatography, and isothermal titration calorimetry. Here we present a detailed overview of the dissociation equilibria of Eberconazole nitrate (EBZ) in homogeneous and heterogeneous systems, focusing primarily on methods that are based on spectrophotometrically of the dissociation reaction. The Dissociation equilibria of Eberconazole nitrate (EBZ) in homogeneous and heterogeneous systems were studied spectrophotometrically in Britton-Robinson’s (BR) buffer at 25°C. Acidity constant of EBZ in BR buffer was found to be 9.5. The effect of anionic, cationic and non-ionic surfactants applied in the concentration exceeding critical micellar concentration (cmc) on acid – base properties of EBZ were also examined. The results revealed a shift of pKa values in micellar media comparing to the values obtained in BR buffer. These shifts in pKa values are more in cationic and anionic micellar media compared with that of non-ionic. The observed differences in pKa values between micellar media and BR buffer solution ranged between -6.0 to -2.0 units. The micellar-mediated pKa shifts can be attributed to the differences between the mean intrinsic solvent properties of the interfacial and bulk phases, with an additional contribution from the electrostatic micellar surface potential in the case of the charged aqueous micellar solutions.","PeriodicalId":14230,"journal":{"name":"International Journal of Pharmacy and Chemistry","volume":"61 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2019-10-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"82377525","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
Chemometric Simultaneous Determination of Atorvastatin and Amlodipine in Bulk and Tablets 化学计量法同时测定散装和片剂中阿托伐他汀和氨氯地平的含量
International Journal of Pharmacy and Chemistry Pub Date : 2019-10-09 DOI: 10.11648/j.ijpc.20190504.12
Imad Osman Abu Reid, M. E. Mohamed
{"title":"Chemometric Simultaneous Determination of Atorvastatin and Amlodipine in Bulk and Tablets","authors":"Imad Osman Abu Reid, M. E. Mohamed","doi":"10.11648/j.ijpc.20190504.12","DOIUrl":"https://doi.org/10.11648/j.ijpc.20190504.12","url":null,"abstract":"A simple, accurate and precise UV-spectrophotometric method based inverse least-squares was developed for the simultaneous determination of atorvastatin and amlodipine in tablet formulation. The absorbance values of the two analytes were linear with the concentration at the wavelengths taken at 5 nm interval over the range of 230 -260 nm. The calibration equations were developed using the absorbance values of nine synthetic mixtures containing different concentrations of two analytes measured at 5 nm intervalsin the range of 230 -260 nm. The developed equations werethen validated by calculating the analytes recovery from the analysis of a set of another five synthetic mixtures, the mean% recoveries were 100.02% and 100.06% with the corresponding% RSD of ±0.36 and±0.51 for atorvastatin and amlodipine, respectively. The calibration equations obtained were then used to obtain the concentration of each analyte in commercial samples. The mean % recoveries were 100.43% and 100.28% with the corresponding% RSD of ±0.78 and±0.85 for atorvastatin and amlodipine, respectively. The validity of the proposed method was confirmed through the statistical comparison of the obtained results with those obtained by a reference method utilizing high performance liquid chromatography for the determination of the two actives, the calculated t-values at (P=0.05, n =6) were 1.47 and 0.73 compared to the tabulated value of 2.23.","PeriodicalId":14230,"journal":{"name":"International Journal of Pharmacy and Chemistry","volume":"128 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2019-10-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"85744167","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
Feasibility Study for the Production of Bio-ethanol from Sugarcane in Mauritius 毛里求斯用甘蔗生产生物乙醇的可行性研究
International Journal of Pharmacy and Chemistry Pub Date : 2019-09-30 DOI: 10.11648/j.ijpc.20190504.11
Ahmad Fahad Tayab, Monower Zahid Khan, S. Islam, Saleh Ebn Sharif
{"title":"Feasibility Study for the Production of Bio-ethanol from Sugarcane in Mauritius","authors":"Ahmad Fahad Tayab, Monower Zahid Khan, S. Islam, Saleh Ebn Sharif","doi":"10.11648/j.ijpc.20190504.11","DOIUrl":"https://doi.org/10.11648/j.ijpc.20190504.11","url":null,"abstract":"This paper summarizes a groundwork investigation of production of Bio-Ethanol from Sugarcane and analysis of its feasibility in terms of social, economic and environmental aspects. The main objective of this case study is to analyze the option available for ethanol production from sugarcane. As the disposal of sugar mill biomass (bagasse) is a major issue concern for environment, we also suggest the ways to efficiently use bagasse to produce steam and electricity – a sustainable solution of clean energy. Production of Bio-Ethanol is result of several steps of Extraction, Fermentation, Distillation & Dehydration and we demonstrate a comparison of production of Bio-Ethanol from Bagasse and Molasses. In addition, preliminary analysis shows greater scope for more clean and green technology for the still grey areas.","PeriodicalId":14230,"journal":{"name":"International Journal of Pharmacy and Chemistry","volume":"11 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2019-09-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"88299446","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
Molecular Modelling Studies of Pyridazinone Derivatives as Antibutyrylcholinesterases 吡嗪酮衍生物抗丁基胆碱酯酶的分子模拟研究
International Journal of Pharmacy and Chemistry Pub Date : 2019-09-16 DOI: 10.11648/J.IJPC.20190503.11
M. Alagöz, Z. Ozdemir, A. Özçelik
{"title":"Molecular Modelling Studies of Pyridazinone Derivatives as Antibutyrylcholinesterases","authors":"M. Alagöz, Z. Ozdemir, A. Özçelik","doi":"10.11648/J.IJPC.20190503.11","DOIUrl":"https://doi.org/10.11648/J.IJPC.20190503.11","url":null,"abstract":"Background: Butyrylcholinesterase (BChE) is known serine hydrolase enzymes responsible for the hydrolysis of acetylcholine (ACh). Although the role of the other serine hydrolase enzyme, acetylcholinesterase (AChE) in cholinergic transmission is well known, the role of BChE has not been elucidated sufficiently. The hydrolysis of acetylcholine in the synaptic healthy brain cells mainly carried out by AChE, it is accepted that contribution to the hydrolysis of BChE is very low; but both AChE and BChE are known to play an active role in neuronal development and cholinergic transmission. Docking is a method that predicts the preferential orientation of a molecule (small molecule) to a second (protein) molecule when connected to form a stable complex. It is used to predict the affinity of small molecule drug candidates against protein targets, their binding to these proteins, and hence their biological activity. Objective: In this study, we examined a series of pyridazinone-derived compounds, previously synthesized by our research group, for the compatibility of BChE enzyme and some physicochemical properties of the compounds in silico. Method: The compounds were optimized by conjugated gradient method by creating three dimensional models with OPLS_2005 force field parameters with 2D Sketcher and MacroModel (Schrodinger, LLC, NY) software in Maestro (Schrodinger, LLC, NY). Results: When the activities of the compounds were compared with the physicochemical parameters calculated by computerized methods, some parameters were found to be directly related to the activity. Conclusion: This study supports that the researchers may use to calculate various physicochemical properties and to make molecular modeling studies before working with pyridazinone derivates.","PeriodicalId":14230,"journal":{"name":"International Journal of Pharmacy and Chemistry","volume":"38 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2019-09-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"76349576","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
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