Open journal of physical chemistry最新文献_第3页

Molecular Docking Studies on Anticonvulsant Enaminones Inhibiting Voltage-Gated Sodium Channels. 抗惊厥胺酮抑制电压门控钠通道的分子对接研究。

Open journal of physical chemistry Pub Date : 2019-11-01 Epub Date: 2019-11-29 DOI: 10.4236/ojpc.2019.94015

Yayin Fang, Jamiya Kirkland, Isis J Amaye, Patrice Jackson-Ayotunde, Matthew George

{"title":"Molecular Docking Studies on Anticonvulsant Enaminones Inhibiting Voltage-Gated Sodium Channels.","authors":"Yayin Fang, Jamiya Kirkland, Isis J Amaye, Patrice Jackson-Ayotunde, Matthew George","doi":"10.4236/ojpc.2019.94015","DOIUrl":"https://doi.org/10.4236/ojpc.2019.94015","url":null,"abstract":"Epilepsy is described as the most common chronic brain disorder. A typical symptom of epilepsy results in uncontrolled convulsions caused by temporary excessive neuronal discharges. Although, several new anticonvulsants have been introduced, some types of seizures have still not been adequately controlled with these new and current therapies. There is an urgent need to develop new anticonvulsant drugs to control the many different types of seizures. Many studies have shown that the epilepsies involve more than one mechanism and therefore may be responsible for the various types of observed seizures. Recently reported studies have shown that a group of newly synthesized 6 Hz active anticonvulsant fluorinated N-benzamide enaminones to exhibited selective inhibitions of voltage-gated sodium (Nav) channels. Nav channels are responsible for the initial inward currents during the depolarization phases of the action potential in excitable cells. The activation and opening of Nav channels result in the initial phases of action potentials. We hypothesize that there is an essential pharmacophore model for the interactions between these enaminones and the active sites of Nav channels. The research reported here is focused on molecular docking studies of the interactions that occur between the fluorinated N-benzamide enaminones and the Nav channels. These studies may open an avenue for designing anticonvulsant drugs by inhibiting Nav channels.","PeriodicalId":19563,"journal":{"name":"Open journal of physical chemistry","volume":"9 4","pages":"241-257"},"PeriodicalIF":0.0,"publicationDate":"2019-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8130903/pdf/nihms-1697797.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"39000984","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 1

Characterization of Amino Acid Based Molecular Micelles with Molecular Modeling. 氨基酸基分子胶束的分子模拟表征。

Open journal of physical chemistry Pub Date : 2019-11-01 Epub Date: 2019-11-29 DOI: 10.4236/ojpc.2019.94014

Alexander Billiot, Yayin Fang, Kevin F Morris

{"title":"Characterization of Amino Acid Based Molecular Micelles with Molecular Modeling.","authors":"Alexander Billiot, Yayin Fang, Kevin F Morris","doi":"10.4236/ojpc.2019.94014","DOIUrl":"https://doi.org/10.4236/ojpc.2019.94014","url":null,"abstract":"The enantiomers of chiral drugs often have different potencies, toxicities, and biochemical properties. Therefore, the FDA and other worldwide regulatory agencies require manufactures to test and prove the enantiomeric purity of chiral drugs. Amino acid based molecular micelles (AABMM) have been used in chiral CE separations since the 1990's because of their low environmental impact and because their properties can easily be tuned by changing the amino acids in the chiral surfactant headgroups. Using molecular dynamics simulations to investigate the structures and properties of AABMM is part of an ongoing study focusing on investigating and elucidating the factors responsible for chiral recognition with AABMM. The results will be useful for the proper design and selection of more efficient chiral selectors. The micelles investigated contained approximately twenty covalently linked surfactant monomers. Each monomer was in turn composed of an undecyl hydrocarbon chain bound to a dipeptide headgroup containing of all combinations of L-Alanine, L-Valine, and L-Leucine. These materials are of interest because they are effective chiral selectors in capillary electrophoresis separations. Molecular dynamics simulation analyses were used to investigate how the sizes and positions of the headgroup amino acid R-groups affected the solvent accessible surface areas of each AABMM chiral center. In addition, headgroup dihedral angle analyses were used to investigate how amino acid R-group size and position affected the overall headgroup conformations. Finally, distance measurements were used to study the structural and conformational flexibilities of each AABMM headgroup. All analyses were performed in the context of a broader study focused on developing structure-based predictive tools to identify the factors responsible for (a) self-assembly, (b) function, (c) higher ordered structure and (d) molecular recognition of these amino acid based molecular micelles.","PeriodicalId":19563,"journal":{"name":"Open journal of physical chemistry","volume":"9 4","pages":"221-240"},"PeriodicalIF":0.0,"publicationDate":"2019-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8130901/pdf/nihms-1697798.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"39000983","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 2

Determination of arsenic, copper and lead in the water of villages of Chalkidiki, Greece 希腊Chalkidiki村水中砷、铜和铅的测定

Open journal of physical chemistry Pub Date : 2019-07-05 DOI: 10.17352/OJC.000014

M. Anagnostopoulou, N. Ward

引用次数: 2

Guidelines for the preparation and isolation of Radionuclides produced with In-house Cyclotrons Bombardments 用内部回旋加速器轰击产生的放射性核素的制备和分离指南

Open journal of physical chemistry Pub Date : 2019-06-25 DOI: 10.17352/OJC.000013

Loai Aljerf, Davoud Dastan, S. Sajjadifar, S. Bhatnagar, P. Ukaogo, F. Dehmchi

引用次数: 11

Alzheimer’s disease and its current treatments; Is there a possibility for a cure? 阿尔茨海默病及其目前的治疗方法;有治愈的可能吗?

Open journal of physical chemistry Pub Date : 2019-06-21 DOI: 10.17352/OJC.000012

Ammar Ehab, Mohamed Izham Mohamed Ibrahim, Marel Magdi, Mohamed Ayman, N. Zidan, Abdelbaset Osman, S. Ashraf, Mayar Mohamed, Mirna Magdy, Marina Hany, Marise Adly, Nourhan Kamel, Amr Maher, Ammar Yaser, Yara Ahmed, Amal Abdelkarim, Marehan Ehab, Rana Wael, R. Hathout

{"title":"Alzheimer’s disease and its current treatments; Is there a possibility for a cure?","authors":"Ammar Ehab, Mohamed Izham Mohamed Ibrahim, Marel Magdi, Mohamed Ayman, N. Zidan, Abdelbaset Osman, S. Ashraf, Mayar Mohamed, Mirna Magdy, Marina Hany, Marise Adly, Nourhan Kamel, Amr Maher, Ammar Yaser, Yara Ahmed, Amal Abdelkarim, Marehan Ehab, Rana Wael, R. Hathout","doi":"10.17352/OJC.000012","DOIUrl":"https://doi.org/10.17352/OJC.000012","url":null,"abstract":"Alzheimer’s disease (AD) is an irreversible, progressive brain disorder that slowly destroys the memory and the thinking skills, and eventually the ability to carry out the simplest tasks. This has motivated lots of scientists to search for an ultimate treatment or cure for this serious disease. There are various causes & risk factors which cause AD and are the reasons for its progression. The drugs used in AD are usually a combination between different classes but never those of the same class such as Acetyl cholinesterase inhibitors which increase the availability of acetylcholine & NMDA receptors antagonists such as memantine. Most of the currently used drugs are mainly used to treat the symptoms, but lately some drugs have shown some promise in both treating & curing AD such as Aducanumab which is in the final phases of the clinical trials that resulted in the clearing of Amyloid plaques affecting cells communication. Since there are newly discovered causes of the disease, there are various other approaches in dealing with AD which will be discussed thoroughly in this review article.","PeriodicalId":19563,"journal":{"name":"Open journal of physical chemistry","volume":"11 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2019-06-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"87372298","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: 4

Colorimetric determination of chromium in aluminium alloys by diphenylcarbazide method 二苯脲比色法测定铝合金中的铬

Open journal of physical chemistry Pub Date : 2019-05-31 DOI: 10.17352/OJC.000011

Peter Chikezie Ayogu and Fabian Ifeanyi Eze

引用次数: 1

The antioxidant status in Trichinella Spiralis-infected rats, improved by Selenium supplementation 添加硒可改善旋毛虫感染大鼠的抗氧化能力

Open journal of physical chemistry Pub Date : 2019-03-21 DOI: 10.17352/OJC.000010

M. Gabrashanska, S. Petkova, S. Teodorova

引用次数: 4

On the Multiplicative Degree Based Topological Indices of Circulant Graph 基于乘次的循环图拓扑指标

Open journal of physical chemistry Pub Date : 2018-12-31 DOI: 10.30538/PSRP-OJC2018.0002

Ghulam Hussain, Saba Noreen, Waseem Khaild

引用次数: 0

Estimation of Fexofenadine HCl and Pseudoephedrine HCl by Spectrophotometer and TLC in Combined Tablet Dosage Form 分光光度法和薄层色谱法测定复方片剂中盐酸非索非那定和盐酸伪麻黄碱的含量

Open journal of physical chemistry Pub Date : 2018-12-31 DOI: 10.30538/PSRP-OJC2018.0001

S. Mahmood, Zaheer Ahmad, M. Arshad

{"title":"Estimation of Fexofenadine HCl and Pseudoephedrine HCl by Spectrophotometer and TLC in Combined Tablet Dosage Form","authors":"S. Mahmood, Zaheer Ahmad, M. Arshad","doi":"10.30538/PSRP-OJC2018.0001","DOIUrl":"https://doi.org/10.30538/PSRP-OJC2018.0001","url":null,"abstract":"The objective of the present work was to develop and validate of an analytical method for the quantitative determination of Fexo. HCL and Pseudo. HCl in a combined tablet dosage form by UV − V is spectrophotometry and TLC. The main problem was to separate the two active ingredient from a single bilayered tablet because both the A.P.I’s were soluble in the same solvents. As media selection, distilled water and ethanol (1 : 1) were used for Pseudo. HCl and methanol for Fexo. HCl, in which both the drugs were soluble and stable for a sufficient time. Both drugs were measured at 220nm and 247nm, where they showed maximum absorbance. Beer Lambert’s law was obeyed at concentration range 4− 14 ppm and 5 − 30 ppm for Fexo. HCl and Pseudo HCl respectively. Fexo. HCl (Y = 0.0643x + 0.9370) was measured with correlation coefficient r = 0.9574 and Pseudo. HCl (Y = 0.0843x+0.0219) with correlation coefficient r = 0.9992. The results of analysis have been validated statistically and recovery studies were carried out as 99.29%±0.943 and 99.29%±0.941 which were close to the assay value 100.1% & 100.6 %. Precision of the method was measured which showed results for SD (99.57 % & 99. 51% ) and % RSD (99.53 % & 99.54). The proposed method may be suitably applied for the analysis of Fexo. HCl and Pseudo.HCl in tablet pharmaceutical formulation for routine analysis.","PeriodicalId":19563,"journal":{"name":"Open journal of physical chemistry","volume":"130 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2018-12-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"85762871","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

Zagreb Polynomials and redefined Zagreb indices of line graph of HAC5C6C7[p,q] Nanotube HAC5C6C7线形图的Zagreb多项式和重定义的Zagreb指数[p,q]

Open journal of physical chemistry Pub Date : 2018-12-31 DOI: 10.30538/PSRP-OJC2018.0004

A. Rehman, W. Khalid

引用次数: 1