Journal of analytical & pharmaceutical research最新文献

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Quantification and speciation of trac. E amount of vanadium (iii) and vanadium (v) using 2-[(e)-[3-[(e)-(2 hydroxyphenyl) methyleneamino]phenyl] iminomethyl]phenol 痕量的量化和形成。钒(iii)和钒(v)用量为2-[(E)-[3-[(E)-(2羟基苯基)亚甲基亚胺基]苯酚
Journal of analytical & pharmaceutical research Pub Date : 2021-07-02 DOI: 10.15406/japlr.2021.10.00377
Okenwa C J, Ukoha Po, Chinyere Ec, Ezeh E
{"title":"Quantification and speciation of trac. E amount of vanadium (iii) and vanadium (v) using 2-[(e)-[3-[(e)-(2 hydroxyphenyl) methyleneamino]phenyl] iminomethyl]phenol","authors":"Okenwa C J, Ukoha Po, Chinyere Ec, Ezeh E","doi":"10.15406/japlr.2021.10.00377","DOIUrl":"https://doi.org/10.15406/japlr.2021.10.00377","url":null,"abstract":"Some new transition metal complexes of Vanadium(III) and Vanadium(V) with tetradentate (N2O2) Schiff base – 2-[(E)-[3-[(E)-(2-hydroxyphenyl)methyleneamino]phenyl]iminomethyl]phenol (HPMAPIP) have been synthesized. The characterization of the ligand and the metal complexes were also reported. The bonding and the proposed structure of the newly synthesized complexes were also identified by elemental analysis, Infra red, UV – Vis, 1H NMR, magnetic moment measurements and conductivity analysis. The Metal: Ligand Mole ratio indicated a 1:1 and their wavelength maximum were at 400 and 405 nm for Vanadium (III) and Vanadium(V) complexes respectively. From the calibration curve, Beer’s law was valid for Vanadium (III) and Vanadium (V) between 0.488 – 3.904 ppm. The calibration and analytical sensitivity of Vanadium (III) complex are 0.074 and 0.32 while that of Vanadium (V) are 0.024 and 24 respectively. Optimum pH for the formation of the complex was determined to be 10 and 11 for Vanadium (III) and Vanadium(V) respectively. Very few elements were found to interfere with the method. The method was successfully applied in the determination of Vanadium in alloy steel.","PeriodicalId":92063,"journal":{"name":"Journal of analytical & pharmaceutical research","volume":"1 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-07-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"41881204","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
Modelling profile of onchocerca volvulus glutamatecysteine ligase (ONCVO-GCL) 盘尾丝虫谷氨酸半胱氨酸连接酶(oncco - gcl)模型分析
Journal of analytical & pharmaceutical research Pub Date : 2021-06-09 DOI: 10.15406/japlr.2021.10.00374
A. Roland, A. E. Morayo, Ojomo Joan, Gbadamosi Folawiyo I, Ebenezer Kayode, A. Mustapha
{"title":"Modelling profile of onchocerca volvulus glutamatecysteine ligase (ONCVO-GCL)","authors":"A. Roland, A. E. Morayo, Ojomo Joan, Gbadamosi Folawiyo I, Ebenezer Kayode, A. Mustapha","doi":"10.15406/japlr.2021.10.00374","DOIUrl":"https://doi.org/10.15406/japlr.2021.10.00374","url":null,"abstract":"Onchocerca volvulus Glutamate cysteine ligase (ONCVO-GCL) catalyzes the first step in the production of the cellular antioxidant glutathione (GSH), which involve the condensation of cysteine and glutamate to form the dipeptide gamma-glutamylcysteine (γ-GC). ONCVO-GCL is critical to cell survival. Its dysregulation could lead to decreased GSH biosynthesis, reduced cellular antioxidant capacity, and the induction of oxidative stress. ONCVO-GCL expression support the high level of cell proliferation and confer resistance to many chemotherapeutic agents, hence could serve as a molecular target for inhibitors. This study aims to model the 3-dimensional (3D) structure of ONCVO-GCL, validate and predict the active sites of the modelled protein. ONCVO-GCL (Uniprot ID: A0A044QR48) 3D structure was modelled and validated using SWISS-MODEL. The Computed Atlas of Surface Topography of proteins (CASTp) 3.0 was used to predict the active sites of the modelled protein. A percentage identity matrix of 41.81% was obtained, which confirms the similarity identity of 40.86% obtained from the homology modelling. Model with 88% in the most favoured region of Ramachandra plot was obtained and the more favourable active sites for docking analyses due to the similarities observed from the alignment of the modelled structure to the template structure were: GLY 2A, LEU3A, LEU 4A, ARG 40A, TRP 47A, GLY 48A, ASP 49A, GLU 50A, GLU 52A, and PRO 109A.","PeriodicalId":92063,"journal":{"name":"Journal of analytical & pharmaceutical research","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-06-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"42680299","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
A comprehensive review on polymeric micelles: a promising drug delivery carrier 高分子胶束:一种很有前途的药物传递载体
Journal of analytical & pharmaceutical research Pub Date : 2021-05-04 DOI: 10.15406/japlr.2021.10.00372
Ajay Kumar
{"title":"A comprehensive review on polymeric micelles: a promising drug delivery carrier","authors":"Ajay Kumar","doi":"10.15406/japlr.2021.10.00372","DOIUrl":"https://doi.org/10.15406/japlr.2021.10.00372","url":null,"abstract":"The main aim of drug delivery systems is to regulate the rate of drug release as per the patient's physiological conditions as well as the progression of the illness or as per the circadian rhythms. To achieve such objectives, the new drug delivery systems have been developed to provide the drug release profile, which is based on each patient's needs. Different researches have been done to create drug delivery carriers, focusing on targeting and delivering hydrophobic drug molecules. This review focuses on Polymeric Micelles as the promising drug delivery carrier due to its high stability, protective property against the harsh gastrointestinal environment.","PeriodicalId":92063,"journal":{"name":"Journal of analytical & pharmaceutical research","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-05-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"42190199","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: 3
A Comment on the levels of antipsychotics and their metabolites in urine 尿中抗精神病药物及其代谢物水平的评价
Journal of analytical & pharmaceutical research Pub Date : 2021-05-03 DOI: 10.15406/JAPLR.2021.10.00371
G. McIntire, Erin C. Strickland, Sheng Feng, J. Enders, O. Cummings, T. McIntire
{"title":"A Comment on the levels of antipsychotics and their metabolites in urine","authors":"G. McIntire, Erin C. Strickland, Sheng Feng, J. Enders, O. Cummings, T. McIntire","doi":"10.15406/JAPLR.2021.10.00371","DOIUrl":"https://doi.org/10.15406/JAPLR.2021.10.00371","url":null,"abstract":"A recent paper regarding development and validation of a liquid chromatography/mass spectrometry mass spectrometry (LC/MSMS) method for the analysis of antipsychotics and their respective metabolites in urine was published in the Journal of Analytical Toxicology.7 This work by Kim, et al., was focused on assessing adherence of “mentally disordered probationers” to legally required antipsychotics. The authors note that the repercussions of “negative” test results could be severe and thus they have taken a very conservative approach to declaring negative results. This situation is the same as clinical patients who are prescribed antipsychotics and are monitored for their adherence to this paradigm by their physicians. Dosages for these drugs are set by medical practice as well as regulatory approvals. Again, the repercussions of negative test results can be serious. Any improvement in the effective sensitivity of the analytic method would benefit these patients.","PeriodicalId":92063,"journal":{"name":"Journal of analytical & pharmaceutical research","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-05-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"48577195","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
Immunomodulatory activity in tumor-bearing mice treated with Withania somnifera extract 硝烟提取物对荷瘤小鼠的免疫调节作用
Journal of analytical & pharmaceutical research Pub Date : 2021-04-12 DOI: 10.15406/JAPLR.2021.10.00369
Adriana Almeida Sales de Melo, André Luiz de Melo, M. C. Marcucci, C. D. Carvalho, C. Gonçalves
{"title":"Immunomodulatory activity in tumor-bearing mice treated with Withania somnifera extract","authors":"Adriana Almeida Sales de Melo, André Luiz de Melo, M. C. Marcucci, C. D. Carvalho, C. Gonçalves","doi":"10.15406/JAPLR.2021.10.00369","DOIUrl":"https://doi.org/10.15406/JAPLR.2021.10.00369","url":null,"abstract":"We investigated some actions of Withania somnifera on the growth and differentiation of hematopoietic precursors [granulocyte/macrophage colony cell formation (CFU-GM)] of normal animals and EAT bearers, which were treated with different doses (20, 50, or 100 mg/kg/day). We also evaluated the presence of colony stimulatory factors in the animal's serum, as well as its survival. Furthermore, we analyzed lymphocyte proliferation, IFN-ɤ, and TNF-α concentrations in treated bearing mice. Our results demonstrated Withania somnifera effectiveness on hematopoietic precursors growth and differentiation in marrow and spleen TAE-bearing mice. As it was already expected, EAT produced myelosuppression and increased CFU-GM spleen number concomitantly. The treatment of EAT-bearing animals with W.S. (20, 50, and 100 mg/Kg) produced a dose-dependent increase in myelopoiesis, an increase in a lifetime, and a reduction in spleen colony number. All this happened parallel to survival. As to lymphocyte proliferation, they were also dose-dependent in treated bearing animals. Concerning IFN-γ levels, we observed a significant reduction in non-treated bearing mice. Levels of TNF-α of treated bearing mice significantly increased when compared to the non-treated bearing group. These results are encouraging since they favor the use of W.S. extract in therapeutic combinations with other chemotherapeutic agents to reduce myelotoxicity and supplement the tumoricidal efficacy of this plant.","PeriodicalId":92063,"journal":{"name":"Journal of analytical & pharmaceutical research","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-04-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"46755045","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: 5
Ethnomedicinal uses, phytochemisty and pharmacological activities of Rumex nervosus 神经性Rumex的民族医药用途、植物化学和药理活性
Journal of analytical & pharmaceutical research Pub Date : 2021-03-29 DOI: 10.15406/JAPLR.2021.10.00367
Worku Gemechu, Samuel Woldekidan, Firehiwot Teka, J. Mohammed, Rekik Ashebir, Bihonegn Sisay, Abiy Abebe, Asfaw Meresa
{"title":"Ethnomedicinal uses, phytochemisty and pharmacological activities of Rumex nervosus","authors":"Worku Gemechu, Samuel Woldekidan, Firehiwot Teka, J. Mohammed, Rekik Ashebir, Bihonegn Sisay, Abiy Abebe, Asfaw Meresa","doi":"10.15406/JAPLR.2021.10.00367","DOIUrl":"https://doi.org/10.15406/JAPLR.2021.10.00367","url":null,"abstract":"The genus Rumex is cosmopolitan plants consisted of about 200 species. Rumex nervosus that is known as nutraceutical plants widely distributed around the world. This review documents fragmented information on the ethnomedicial uses, phytochemistry and pharmacological activities of R. nervosus. The review articles are carried out by searching in PubMed, Google scholar and Google search up to December 2020. R. vernosus is traditionally used to treat eye disease, headache, teaniacapitis, haemorrhoids, dysentery, stomach-ache, diarrhoea, pharyngitis, arthritis, eczema, abscess and gynecological disorders. Secondary metabolites such as anthraquinones, naphthalenes, flavonoids, stilbenoids, triterpenes, carotenoids, and phenolic acids have been identified for this herb. The extracts of R. nervosus exhibited a wide range of pharmacological effects including antimicrobial, anti -inflammatory, antihypertensive, antidiabetic, antidiarrheal, anticoccidial and antileishimanial activities. These pharmacological studies have established a scientific basis for therapeutic uses of R. nervosus.","PeriodicalId":92063,"journal":{"name":"Journal of analytical & pharmaceutical research","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-03-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"45285431","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: 6
Formulation and evaluation of orally disintegrating tablet containing taste masked mirtazapine 掩味米氮平口腔崩解片的研制及评价
Journal of analytical & pharmaceutical research Pub Date : 2021-03-29 DOI: 10.15406/JAPLR.2021.10.00368
Shrestha Prabhat, Shrestha Rajan, S. Sahana
{"title":"Formulation and evaluation of orally disintegrating tablet containing taste masked mirtazapine","authors":"Shrestha Prabhat, Shrestha Rajan, S. Sahana","doi":"10.15406/JAPLR.2021.10.00368","DOIUrl":"https://doi.org/10.15406/JAPLR.2021.10.00368","url":null,"abstract":"Objective: This study aims to prepare the taste-masked granules of Mirtazapine by mass extrusion technique and formulate it into an oral dispersible tablet using different super disintegrates. Methods: Taste masked granules of mirtazapine were prepared by mass extrusion technique using Eudragit EPO in different ratios. The drug-polymer ratio was optimized based on the percent drug release in SSF and SGF. Taste masking efficacy of drug-polymer complex was determined by developing the bitterness threshold value of Mirtazapine. The selected drug-polymer complex was formulated into an oro-dispersible tablet by direct compression method. A randomized design was used to investigate individual effect of three different super disintegrates each in different concentrations. Ten formulations were developed including a controlled formulation without the addition of superdisintegrants. A comparative study was done based on various pre-compression and post-compression parameters. Results: Eudragit EPO was able to mask the bitter taste of Mirtazapine effectively in 1:2 ratio by mass extrusion method. The minimum disintegration time and wetting time was found to be 13.6±2.7 and 18.13±0.24 seconds with the formulation containing crospovidone 5% (F9). It was found that the wetting time and disintegration time followed the order SSG>CCS>CPV. The selected best formulation was subjected to an incompatibility study design. The IR spectrum showed that all the excipients were chemically compatible. Conclusion: Thus, in this study unpalatable taste of Mirtazapine was masked using Eudragit EPO polymer by mass extrusion technique, and superdisintegrants were added to prepare orally disintegrating tablets of Mirtazapine. This research work suggests a rapid, simple and cost effective method for formulating Mirtazapine ODT.","PeriodicalId":92063,"journal":{"name":"Journal of analytical & pharmaceutical research","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-03-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"44280291","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
Out of pocket payment, affordability and availability of essential medicines in Africa: systematic review 非洲基本药物的自付支付、可负担性和可获得性:系统审查
Journal of analytical & pharmaceutical research Pub Date : 2021-03-16 DOI: 10.15406/JAPLR.2021.10.00366
G. Asmamaw, Dinksew Tewuhibo, Nardos Asffaw
{"title":"Out of pocket payment, affordability and availability of essential medicines in Africa: systematic review","authors":"G. Asmamaw, Dinksew Tewuhibo, Nardos Asffaw","doi":"10.15406/JAPLR.2021.10.00366","DOIUrl":"https://doi.org/10.15406/JAPLR.2021.10.00366","url":null,"abstract":"Background: Availability and affordability of medicines are key determinants of universal health coverage, yet achieving them presents a major challenge especially in low-income countries. This study aims to overview the evidence on the accessibility of essential medicines in the African continent. Methods: A quantitative literature search published in English since 2014 was held from valid databases; such as, Scholar, Economic Literature, Global Health, PAIS International, and African Index Medicus. The search was erperformed from September 16 to 20, 2019. Two authors (G.A and D.T) screened the titles, reviewed the articles for inclusion, extracted the data, and conducted a quality assessment of the literature. The third author (N.A) commented on the review. We have used the universal definition of OOP, availability, and affordability. Results: Of 34, 06 articles initially identified, 19 were eligible for inclusion. These were cross-sectional and case-control household and health facility studies published in 2014 in Africa. They demonstrated that the availability of some essential medicine (antibiotics) >80% met WHO’s target. However, drugs for non-communicable diseases show unavailable that range within 20.1% to 60.8%. Households access health services mainly through OOP. An item patients’ expense more for, was fees for drugs (62.3%) (Congo) and was an expensive component of expenditure in private and public health facilities with a mean of 16.7USD and 25.5USD, respectively (Burkina-Faso). Drugs for non-communicable diseases were the most expensive than drugs for infectious diseases (median = 0.62 USD) (Ethiopia). The majority of core essential medicines in private and public outlets are unaffordable. There was a considerable variation in the affordability of basic treatment for infectious and non-communicable diseases. Interestingly, the potential source of inadequate availability of essential medicines and the presence of unaffordability was not investigated in Africa. Conclusion: Evidence suggests that even though, African countries show progress in coverage and affordability for some core essential medicines, it tills needs an effort to convey the WHO’s goal particularly for drugs of non-communicable disease. Future studies need to explore reasons for the persistent unavailability, unaffordability as well as high OOPs for medicines.","PeriodicalId":92063,"journal":{"name":"Journal of analytical & pharmaceutical research","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-03-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"47252202","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
ELISA validation approach for the detection of anti-saccharomyces cerevisiae antibodies in patients treated with biopharmaceutical heberprot-P® ELISA验证方法检测接受生物药物heberprot-P®治疗的患者中的抗酿酒酵母抗体
Journal of analytical & pharmaceutical research Pub Date : 2021-03-08 DOI: 10.15406/JAPLR.2021.10.00365
M. P. Bernal, Carlos Hernández, Magalis Delgado, M. Izquierdo, Ileana Rosales, E. Pérez
{"title":"ELISA validation approach for the detection of anti-saccharomyces cerevisiae antibodies in patients treated with biopharmaceutical heberprot-P®","authors":"M. P. Bernal, Carlos Hernández, Magalis Delgado, M. Izquierdo, Ileana Rosales, E. Pérez","doi":"10.15406/JAPLR.2021.10.00365","DOIUrl":"https://doi.org/10.15406/JAPLR.2021.10.00365","url":null,"abstract":"This work describes the validation of an enzyme-linked immunosorbent assay (ELISA) for detection of anti-Saccharomyces cerevisiae antibodies (ASCA) in diabetic patients with foot ulcers, after the treatment with Heberprot-P®. Validation followed regulatory guidelines of US FDA and European Medicine Agency. Minimum required dilution of samples and quality controls were defined using pools of sera from diabetic patients and from healthy donors. Parameters such as cut point, specificity, precision, selectivity, robustness and sample stability were analyzed. The repeatability and intermediate precision percent ranged between 7.93-10.61% and 7.93-11.43 %, respectively, indicating low intra- and inter-assay variation. The specificity was proved by background noise suppression, reaching 100% of inhibition as strong criterion for the specificity of the immunoassay. The validated ELISA is a reliable tool for ASCA detection in human serum after the administration of Heberprot-P®, in order to find immunological reactions associated with latent contamination by host cell proteins from Saccharomyces cerevisiae.","PeriodicalId":92063,"journal":{"name":"Journal of analytical & pharmaceutical research","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-03-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"48644063","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 as a tool for designing dipeptidylpeptidase-4 inhibitors 分子模型作为设计二肽基肽酶-4抑制剂的工具
Journal of analytical & pharmaceutical research Pub Date : 2021-02-22 DOI: 10.15406/JAPLR.2021.10.00363
A. Mehanna, Moataz Hendawy
{"title":"Molecular modelling as a tool for designing dipeptidylpeptidase-4 inhibitors","authors":"A. Mehanna, Moataz Hendawy","doi":"10.15406/JAPLR.2021.10.00363","DOIUrl":"https://doi.org/10.15406/JAPLR.2021.10.00363","url":null,"abstract":"Dipeptidyl peptidase-4 (DPP-4) is a relatively new target for the treatment of type-2 diabetes mellitus (T2DM). Most of the inhibitors designed to date have not relied on modelling studies to guide their lead optimization efforts. In our previous work, we designed compounds that retain the (R)-3-amino-4-(2,4,5-trifluorophenyl)butanamido S1-pocket binding moiety of sitagliptin, but have S2-pocket binding moieties that are more hydrophobic than the triazolopiperazine. In an effort to understand how Vina docking algorithm can be integrated in discovering new inhibitors of DPP-4; we designed, synthesized and evaluated new compounds that vary in the hydrophobic properties of the S2-pocket binding groups. Our results indicate that the minimum binding energy predicted from the docking studies was not reliable in designing more active candidates. However, visualizing the binding modes of each compound and modifying it to target neighboring key residues in the active site is a more effective implementation of the docking in the design of new compounds. Compounds in this study displayed IC50 values ranging from 0.37 µM to 11 µM.","PeriodicalId":92063,"journal":{"name":"Journal of analytical & pharmaceutical research","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-02-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"41908375","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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