Pub Date : 2020-01-15DOI: 10.18231/j.ijpca.2019.022
Abdul Wahab, Mohammad Mojeeb Gulzar Khan, A. Shirkhedkar
The proposed of work to establish simple, rapid, sensitive, economical and accurate UV spectrophotometric methods for the quantificationof Pimavanserin tartrate in bulk material and in-house tablet formulation. This study is designed to validate the developed methods as per ICH guidelines. Pimavanserin tartrate an atypical anti-psychotic drug also used for the treatment of Parkinson Disease. Four simple UV Spectroscopy methods developed and validated for the estimation of Pimavanserin tartrate, by using double beam spectrophotometer (UV-2450, Shimadzu, Japan). Maximum absorbance (?max) of pimavanserin tartrate was observed at 226 nm used methanol as a solvent. The calibration curve of concentration range 5-30 ?g/ml obeyed Beer lambert law. The % recovery was found to be in the range of 98-101%. Precision values observed less than 2 in the terms of % RSD that shows precise nature of developed methods. It was concluded that statistical analysis and the result amongst all four methods, AUC method is most simple, specific, accurate and precise. All four methods can be used as routine analysis of Pimavanserin tartrate in bulk and pharmaceutical formulations. Keywords: Area under curve, Derivative-spectrophotometry, Pimavanserin tartrate, UV Spectroscopy.
{"title":"Analytical studies on zero order and first order derivative and area under curve UV-spectrophotometric methods for estimation of pimavanserin tartrate in bulk and In-house tablet formulation","authors":"Abdul Wahab, Mohammad Mojeeb Gulzar Khan, A. Shirkhedkar","doi":"10.18231/j.ijpca.2019.022","DOIUrl":"https://doi.org/10.18231/j.ijpca.2019.022","url":null,"abstract":"The proposed of work to establish simple, rapid, sensitive, economical and accurate UV spectrophotometric methods for the quantificationof Pimavanserin tartrate in bulk material and in-house tablet formulation. This study is designed to validate the developed methods as per ICH guidelines. Pimavanserin tartrate an atypical anti-psychotic drug also used for the treatment of Parkinson Disease. Four simple UV Spectroscopy methods developed and validated for the estimation of Pimavanserin tartrate, by using double beam spectrophotometer (UV-2450, Shimadzu, Japan). Maximum absorbance (?max) of pimavanserin tartrate was observed at 226 nm used methanol as a solvent. The calibration curve of concentration range 5-30 ?g/ml obeyed Beer lambert law. The % recovery was found to be in the range of 98-101%. Precision values observed less than 2 in the terms of % RSD that shows precise nature of developed methods. It was concluded that statistical analysis and the result amongst all four methods, AUC method is most simple, specific, accurate and precise. All four methods can be used as routine analysis of Pimavanserin tartrate in bulk and pharmaceutical formulations.\u0000\u0000Keywords: Area under curve, Derivative-spectrophotometry, Pimavanserin tartrate, UV Spectroscopy.","PeriodicalId":14317,"journal":{"name":"International Journal of Pharmaceutical Chemistry","volume":"38 1","pages":"120-126"},"PeriodicalIF":0.0,"publicationDate":"2020-01-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"81752098","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 : 2020-01-15DOI: 10.18231/j.ijpca.2019.019
Chiragkumar J. Gohil, M. Noolvi
Cancer is a tumorous disease, which involves the unwanted cell growth and cell division. The imbalance or inactivity of the apoptosis in the body is responsible for the occurrence of tumour and cancer. This apoptosis is regulated by the p53 protein, which is tumour suppressor protein. In the cancer cells, this p53 has been inhibited by the MDM2 protein. MDM2 interact with the p53 and make it inactive. This p53-MDM2 interaction is responsible for the cancer genesis. If we target this interaction, then we can initiate the apoptosis in the cancer cells by making the free p53 protein. There are many strategies to inhibit this p53-MDM2 interaction. Among them non-peptidic small molecule inhibitors are the convenient approach. Small molecule inhibitors have a three pocket binding, so they bind with p53 binding pocket (Trp 23, Leu 26 and Phe 19), present in the MDM2 protein. That is how it spares the p53 protein and makes it available in the cancer cells. Hence, small molecule inhibitors successfully inhibit the p53-MDM2 interaction and can initiate the apoptosis in the cancer cells, which are having the un-mutated p53 protein. They can’t inhibit this interaction in the cells which contains the mutated or deleted p53 protein. Hence, this limitation must be addressed. Many of the small molecular MDM2 inhibitors have been successfully entered into the clinical trials and they are performing well. The clinical data indicate that the small molecular MDM2 inhibitors are having very low toxicity to the normal cells. And they are non-genotoxic so they are near to nontoxic to the normal cells. But none of the any small molecule MDM2 inhibitor has been enters into the market yet. So till then, it has required advancement and research to make more selective and specific for the cancer cells over the normal cells. Keywords: Cancer, Apoptosis, p53 protein, MDM2 protein, p53-MDM2 interaction, Three pocket binding, Small molecule p53-MDM2 interaction inhibitors.
癌症是一种肿瘤疾病，涉及不必要的细胞生长和细胞分裂。体内细胞凋亡的不平衡或不活跃是肿瘤和癌症发生的原因。这种细胞凋亡是由p53蛋白调控的，它是一种肿瘤抑制蛋白。在癌细胞中，这种p53被MDM2蛋白抑制。MDM2与p53相互作用，使其失去活性。这种p53-MDM2相互作用是癌症发生的原因。如果我们以这种相互作用为目标，那么我们就可以通过制造游离p53蛋白来启动癌细胞的凋亡。有许多策略可以抑制p53-MDM2的相互作用。其中，非肽类小分子抑制剂是一种方便的方法。小分子抑制剂具有三袋结合，因此它们与p53结合袋(Trp 23, Leu 26和Phe 19)结合，存在于MDM2蛋白中。这就是为什么p53蛋白不受影响，并使其在癌细胞中可用。因此，小分子抑制剂成功地抑制了p53- mdm2的相互作用，并可以启动具有未突变p53蛋白的癌细胞的凋亡。它们不能抑制含有突变或缺失p53蛋白的细胞中的这种相互作用。因此，必须解决这个限制。许多小分子MDM2抑制剂已成功进入临床试验，表现良好。临床资料表明，小分子MDM2抑制剂对正常细胞的毒性很低。它们是非基因毒性的所以它们对正常细胞几乎是无毒的。但目前还没有一种小分子MDM2抑制剂进入市场。因此，到目前为止，它需要进步和研究，使癌细胞比正常细胞更具选择性和特异性。关键词:癌症，细胞凋亡，p53蛋白，MDM2蛋白，p53-MDM2相互作用，三口袋结合，小分子p53-MDM2相互作用抑制剂
{"title":"Non peptidic small molecular inhibitors of the p53-MDM2 interaction","authors":"Chiragkumar J. Gohil, M. Noolvi","doi":"10.18231/j.ijpca.2019.019","DOIUrl":"https://doi.org/10.18231/j.ijpca.2019.019","url":null,"abstract":"Cancer is a tumorous disease, which involves the unwanted cell growth and cell division. The imbalance or inactivity of the apoptosis in the body is responsible for the occurrence of tumour and cancer. This apoptosis is regulated by the p53 protein, which is tumour suppressor protein. In the cancer cells, this p53 has been inhibited by the MDM2 protein. MDM2 interact with the p53 and make it inactive. This p53-MDM2 interaction is responsible for the cancer genesis. If we target this interaction, then we can initiate the apoptosis in the cancer cells by making the free p53 protein. There are many strategies to inhibit this p53-MDM2 interaction. Among them non-peptidic small molecule inhibitors are the convenient approach. Small molecule inhibitors have a three pocket binding, so they bind with p53 binding pocket (Trp 23, Leu 26 and Phe 19), present in the MDM2 protein. That is how it spares the p53 protein and makes it available in the cancer cells. Hence, small molecule inhibitors successfully inhibit the p53-MDM2 interaction and can initiate the apoptosis in the cancer cells, which are having the un-mutated p53 protein. They can’t inhibit this interaction in the cells which contains the mutated or deleted p53 protein. Hence, this limitation must be addressed. Many of the small molecular MDM2 inhibitors have been successfully entered into the clinical trials and they are performing well. The clinical data indicate that the small molecular MDM2 inhibitors are having very low toxicity to the normal cells. And they are non-genotoxic so they are near to nontoxic to the normal cells. But none of the any small molecule MDM2 inhibitor has been enters into the market yet. So till then, it has required advancement and research to make more selective and specific for the cancer cells over the normal cells. \u0000\u0000Keywords: Cancer, Apoptosis, p53 protein, MDM2 protein, p53-MDM2 interaction, Three pocket binding, Small molecule p53-MDM2 interaction inhibitors.","PeriodicalId":14317,"journal":{"name":"International Journal of Pharmaceutical Chemistry","volume":"27 1","pages":"104-109"},"PeriodicalIF":0.0,"publicationDate":"2020-01-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"82585956","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 : 2020-01-15DOI: 10.18231/j.ijpca.2019.018
Mayurdhvajsinh R Sindha, J. Kher
Nanoparticles have been included in hundreds of identical types of products, and the novel properties of nanoparticles offers great promise to provide new technological approaches. However nanotechnology is an emerging technology which has prospective health and safety risks throughout its product life cycle. The nanoparticle plays a key role and it can conjugate with different drugs by various methods to deliver drugs to the target site. Clinical applications of different Nano systems in carcinoma therapy such as carbon nanotube, dendrimers, nanocrystal. The expansion in nanotechnology helps in the treatment of Parkinson’s disease and alzheimer’s diseases, Tuberculosis and in Ophthalmology are discussed in this article. Nano pharmaceuticals can be used to perceive diseases at much prior stages. Keywords: Nano particles, Nanotechnology, Clinical application.
{"title":"Advanced drug delivery systems: Nanotechnology of health design and its potential clinical Application","authors":"Mayurdhvajsinh R Sindha, J. Kher","doi":"10.18231/j.ijpca.2019.018","DOIUrl":"https://doi.org/10.18231/j.ijpca.2019.018","url":null,"abstract":"Nanoparticles have been included in hundreds of identical types of products, and the novel properties of nanoparticles offers great promise to provide new technological approaches. However nanotechnology is an emerging technology which has prospective health and safety risks throughout its product life cycle. The nanoparticle plays a key role and it can conjugate with different drugs by various methods to deliver drugs to the target site. Clinical applications of different Nano systems in carcinoma therapy such as carbon nanotube, dendrimers, nanocrystal. The expansion in nanotechnology helps in the treatment of Parkinson’s disease and alzheimer’s diseases, Tuberculosis and in Ophthalmology are discussed in this article. Nano pharmaceuticals can be used to perceive diseases at much prior stages.\u0000\u0000Keywords: Nano particles, Nanotechnology, Clinical application.","PeriodicalId":14317,"journal":{"name":"International Journal of Pharmaceutical Chemistry","volume":"8 1","pages":"95-103"},"PeriodicalIF":0.0,"publicationDate":"2020-01-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"86407765","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 : 2019-03-27DOI: 10.14805/JPHCHEM.2019.ART108
Venkatesan Jayaprakash, A. Timiri, Viswanathan Vijayan, B. N. Sinha, V. Devadasan
Schiff’s base of isonicotinyl hydrazide with 2’,4’-dihydroxy acetophenone (INH-RA) has been designed and synthesized as a part of library enumeration targeting the NS2B-NS3 protease of Dengue virus. Slow evaporation from methanol results in the formation of monoclinic crystals C2/c space group with eight molecules in the unit cell (a=20.0165(3) Å, b=7.7594(10) Å, c=19.4809(3) Å, α=90 °, β=111.368(1) °, γ=90 ° and Z=8).Three dimensional X-ray crystallographic structure of the compound has been determined and refined using SHELXS-97 and SHELXL-2014, respectively to a final R-value of 4.64%
{"title":"X-ray crystal structure of N'-[(1E)-1-(2,4-dihydroxyphenyl)-ethylidene]pyridine-4-carbohydrazide","authors":"Venkatesan Jayaprakash, A. Timiri, Viswanathan Vijayan, B. N. Sinha, V. Devadasan","doi":"10.14805/JPHCHEM.2019.ART108","DOIUrl":"https://doi.org/10.14805/JPHCHEM.2019.ART108","url":null,"abstract":"Schiff’s base of isonicotinyl hydrazide with 2’,4’-dihydroxy acetophenone (INH-RA) has been designed and synthesized as a part of library enumeration targeting the NS2B-NS3 protease of Dengue virus. Slow evaporation from methanol results in the formation of monoclinic crystals C2/c space group with eight molecules in the unit cell (a=20.0165(3) Å, b=7.7594(10) Å, c=19.4809(3) Å, α=90 °, β=111.368(1) °, γ=90 ° and Z=8).Three dimensional X-ray crystallographic structure of the compound has been determined and refined using SHELXS-97 and SHELXL-2014, respectively to a final R-value of 4.64%","PeriodicalId":14317,"journal":{"name":"International Journal of Pharmaceutical Chemistry","volume":"45 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2019-03-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"86449538","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 : 2019-01-30DOI: 10.18231/2394-2797.2018.0026
M. Asif, Abida
Various 1,3,4-thiazole derivatives have been reported to exhibit various biological activities. The 1,3,4-thiadiazole derivatives found to have diverse pharmacological activities such as, insecticidal, herbicidal, antiviral, anti-tumor, CNS stimulant, anti-bacterial, antifungal, antiangiogenic, antiglaucoma, antiischemic, and anti-inflammatory, antidepressant, anxiolytic, antiparasitic, antitumor, hypoglycemic, antihypertensive and CNS depressant activities The 1,3,4-Thiadiazoles have also been used in many fields and majority of applications as dyes, lubricants, analytical reagents and agents. The 1,3,4-Thiadiazole analogs are associated with diverse biological activities probably by virtue of toxophoric -N=C-Sgroup. Due to the wide range of applications we have studied thiadiazole derivatives for their biological significances.
各种1,3,4-噻唑衍生物已被报道具有不同的生物活性。1,3,4-噻二唑衍生物被发现具有多种药理活性，如杀虫、除草、抗病毒、抗肿瘤、中枢神经系统兴奋剂、抗菌、抗真菌、抗血管生成、抗青光眼、抗缺血、抗炎、抗抑郁、抗焦虑、抗寄生虫、抗肿瘤、降糖、降压和中枢神经系统抑制剂活性。分析试剂和试剂。1,3,4-噻二唑类似物与多种生物活性相关，可能是由于弓形虫-N= c - s基团。由于其广泛的应用，我们对噻二唑衍生物的生物学意义进行了研究。
{"title":"A mini review on thiadiazole compounds and their pharmacological interest","authors":"M. Asif, Abida","doi":"10.18231/2394-2797.2018.0026","DOIUrl":"https://doi.org/10.18231/2394-2797.2018.0026","url":null,"abstract":"Various 1,3,4-thiazole derivatives have been reported to exhibit various biological activities. The 1,3,4-thiadiazole derivatives found to have diverse pharmacological activities such as, insecticidal, herbicidal, antiviral, anti-tumor, CNS stimulant, anti-bacterial, antifungal, antiangiogenic, antiglaucoma, antiischemic, and anti-inflammatory, antidepressant, anxiolytic, antiparasitic, antitumor, hypoglycemic, antihypertensive and CNS depressant activities The 1,3,4-Thiadiazoles have also been used in many fields and majority of applications as dyes, lubricants, analytical reagents and agents. The 1,3,4-Thiadiazole analogs are associated with diverse biological activities probably by virtue of toxophoric -N=C-Sgroup. Due to the wide range of applications we have studied thiadiazole derivatives for their biological significances.","PeriodicalId":14317,"journal":{"name":"International Journal of Pharmaceutical Chemistry","volume":"27 1","pages":"156-164"},"PeriodicalIF":0.0,"publicationDate":"2019-01-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"78491120","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 : 2019-01-30DOI: 10.18231/2394-2797.2018.0029
M. Asif, Mrityujoy Acharya
Introduction German scientist Hugo Schiff discovered compounds which have azomethine group. Various azomethines were prepared for different of amines and aldehydes and used for diverse industrial applications. Schif’s bases were also used for their industrial applications such as metal chelating ability and analytical purpose for various metal ions testing. They were used as intermediates for the synthesis of various biological active heterocycles compounds like β-lactums and thiazolidinones. The mechanism of action of some antibiotics such as streptomycin, tetracycline, aspergillic acid and usinic acid were exhibited antibacterial effect due to their metal chelating activities. Metal chelating abilities of Schif’s bases, inspired several chemist to test the antibacterial and other biological activities of Schif’s bases. This was a distraction from research on diazo compounds, as diazo compounds were proved to be toxic and azomethines were believed as substitute to diazo compounds in search for novel molecules and resulted in synthesis of various Schif’s bases for testing their biological activities. Some amino acid-schiff bases 1, 2 were tested for their antibacterial activity against various gram positive and gram negative bacterial strains and some of the tested Schiff’s bases exhibited promising activity. A series of Schif’s bases 3 which have isatin nucleus and exhibited moderate pharmacological activities such as analgesic, antiinflammatory, and anti-pyretic activities. All the tested compounds.
{"title":"A short commentary on substituted Indoles, pyrazolones and imidazolinones","authors":"M. Asif, Mrityujoy Acharya","doi":"10.18231/2394-2797.2018.0029","DOIUrl":"https://doi.org/10.18231/2394-2797.2018.0029","url":null,"abstract":"Introduction German scientist Hugo Schiff discovered compounds which have azomethine group. Various azomethines were prepared for different of amines and aldehydes and used for diverse industrial applications. Schif’s bases were also used for their industrial applications such as metal chelating ability and analytical purpose for various metal ions testing. They were used as intermediates for the synthesis of various biological active heterocycles compounds like β-lactums and thiazolidinones. The mechanism of action of some antibiotics such as streptomycin, tetracycline, aspergillic acid and usinic acid were exhibited antibacterial effect due to their metal chelating activities. Metal chelating abilities of Schif’s bases, inspired several chemist to test the antibacterial and other biological activities of Schif’s bases. This was a distraction from research on diazo compounds, as diazo compounds were proved to be toxic and azomethines were believed as substitute to diazo compounds in search for novel molecules and resulted in synthesis of various Schif’s bases for testing their biological activities. Some amino acid-schiff bases 1, 2 were tested for their antibacterial activity against various gram positive and gram negative bacterial strains and some of the tested Schiff’s bases exhibited promising activity. A series of Schif’s bases 3 which have isatin nucleus and exhibited moderate pharmacological activities such as analgesic, antiinflammatory, and anti-pyretic activities. All the tested compounds.","PeriodicalId":14317,"journal":{"name":"International Journal of Pharmaceutical Chemistry","volume":"104 1","pages":"188-191"},"PeriodicalIF":0.0,"publicationDate":"2019-01-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"80466370","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 : 2018-12-31DOI: 10.14805/JPHCHEM.2018.ART105
D. Velmurugan
To develop a simple, precise, accurate, and stability indicating a UV-method for estimation of Hydrochlorothiazide(HCT)in bulk and formulated dosage form.The drug was alsosubjected to stress degradation at different conditions recommended by the International Conference on Harmonization (ICH). The samples are generated and used for the degradation studies.The λmax of the HCTwas found to be 273nm.The linearity of calibration curve (Absorbance Vs Concentration) in pure solution was checked over the concentration ranges of about 5-30μg/mLwith the correlation coefficient higher than 0.99. The regression equation of the curve was Y = 0.598x + 0.0042.% RSD was found to be within the limit as per ICH guidelines. The obtained percentage recovery of HCTwas found to be within the limit100% ± SD. Stress degradation studies revealed thatitwas within the limit(5-20%).
{"title":"Stress degradation studies of hydrochlorothiazide and development of validated method by UV spectroscopy","authors":"D. Velmurugan","doi":"10.14805/JPHCHEM.2018.ART105","DOIUrl":"https://doi.org/10.14805/JPHCHEM.2018.ART105","url":null,"abstract":"To develop a simple, precise, accurate, and stability indicating a UV-method for estimation of Hydrochlorothiazide(HCT)in bulk and formulated dosage form.The drug was alsosubjected to stress degradation at different conditions recommended by the International Conference on Harmonization (ICH). The samples are generated and used for the degradation studies.The λmax of the HCTwas found to be 273nm.The linearity of calibration curve (Absorbance Vs Concentration) in pure solution was checked over the concentration ranges of about 5-30μg/mLwith the correlation coefficient higher than 0.99. The regression equation of the curve was Y = 0.598x + 0.0042.% RSD was found to be within the limit as per ICH guidelines. The obtained percentage recovery of HCTwas found to be within the limit100% ± SD. Stress degradation studies revealed thatitwas within the limit(5-20%).","PeriodicalId":14317,"journal":{"name":"International Journal of Pharmaceutical Chemistry","volume":"141 4 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2018-12-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"80975127","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 : 2018-12-20DOI: 10.14805/JPHCHEM.2018.ART103
Jyothi Achuthanandhan, B. Lakshmanan
In an attempt to find potential antiviral agents, a series of pyrazolones (PA1-PA6& PC1-PC6) were designed and evaluated for their DENVNS5 (RNA-dependent RNA polymerase) inhibitory activity. Molecular docking studies of all the designed compounds into the binding site of DENVNS5 (PDB Code: 4C11) were performed to gain a comprehensive understanding into rational binding modes. These compounds were also screened for in silico drug-likeliness properties on the basis of the absorption, distribution, metabolism and excretion (ADME) prediction. Among all the synthesized compounds, analogue PA6showed superior inhibitory activity against RNA dependent RNA polymerase. SAR study indicated that the presence of an electron withdrawing substitution on pyrazolone derivatives significantly improves its binding interaction with the protein.Results of ADME prediction revealed that most of these compounds showed in silico drug-likeliness.
{"title":"Docking studies of tetra substituted pyrazolone derivatives as potential antiviral agents","authors":"Jyothi Achuthanandhan, B. Lakshmanan","doi":"10.14805/JPHCHEM.2018.ART103","DOIUrl":"https://doi.org/10.14805/JPHCHEM.2018.ART103","url":null,"abstract":"In an attempt to find potential antiviral agents, a series of pyrazolones (PA1-PA6& PC1-PC6) were designed and evaluated for their DENVNS5 (RNA-dependent RNA polymerase) inhibitory activity. Molecular docking studies of all the designed compounds into the binding site of DENVNS5 (PDB Code: 4C11) were performed to gain a comprehensive understanding into rational binding modes. These compounds were also screened for in silico drug-likeliness properties on the basis of the absorption, distribution, metabolism and excretion (ADME) prediction. Among all the synthesized compounds, analogue PA6showed superior inhibitory activity against RNA dependent RNA polymerase. SAR study indicated that the presence of an electron withdrawing substitution on pyrazolone derivatives significantly improves its binding interaction with the protein.Results of ADME prediction revealed that most of these compounds showed in silico drug-likeliness.","PeriodicalId":14317,"journal":{"name":"International Journal of Pharmaceutical Chemistry","volume":"32 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2018-12-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"78422165","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}
This Letter reports a quantitative study of TTP derivatives (TMES-TTP, C2TET-TTP, C4TET-TTP and BEDT-TTP)1-4by DFT/B3LYP method and 6-31G(d,p)basis set within Gaussian 09Wprogram package.The optimized geometrical parameters and structures of the title molecules are obtained by DFT method. The global and local reactivity of the studied compounds are also investigated. The energies of important MO’s, the total electron density and electrostaticpotential of the studied compounds are determined. Natural bond orbital analysis of the compoundshas been performed to indicate the presence of intramolecular charge transfer.The computeddipole moment, polarizability and HOMO-LUMO energy gap were used to predict the nonlinear optical(NLO) properties.
{"title":"The Quantum Chemical Calculations of SomeTetrathiapentalene (TTP) Derivatives","authors":"Tahar Abbaz, A. Bendjeddou, D. Villemin","doi":"10.7439/IJPC.V8I2.4756","DOIUrl":"https://doi.org/10.7439/IJPC.V8I2.4756","url":null,"abstract":"This Letter reports a quantitative study of TTP derivatives (TMES-TTP, C2TET-TTP, C4TET-TTP and BEDT-TTP)1-4by DFT/B3LYP method and 6-31G(d,p)basis set within Gaussian 09Wprogram package.The optimized geometrical parameters and structures of the title molecules are obtained by DFT method. The global and local reactivity of the studied compounds are also investigated. The energies of important MO’s, the total electron density and electrostaticpotential of the studied compounds are determined. Natural bond orbital analysis of the compoundshas been performed to indicate the presence of intramolecular charge transfer.The computeddipole moment, polarizability and HOMO-LUMO energy gap were used to predict the nonlinear optical(NLO) properties.","PeriodicalId":14317,"journal":{"name":"International Journal of Pharmaceutical Chemistry","volume":"1 1","pages":"07-17"},"PeriodicalIF":0.0,"publicationDate":"2018-05-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"88141262","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}
Fluorescence spectroscopy is a rapid, sensitive method for characterizing molecular environments and events samples. Fluorimetry is chosen for its extraordinary sensitivity, high specificity, simplicity and low cost as compared to other analytical techniques. It is widely accepted and powerful technique that is used for a variety of environmental, industrial, medical diagnostics, DNA sequencing, forensics, genetic analysis and biotechnology applications. It is a valuable analytical tool for both quantitative and qualitative analysis. This article presents a brief overview of the theory of fluorescence spectroscopy, together with examples of applications of this technique in organic and inorganic chemistry, medical diagnosis, medical science etc.
{"title":"Fluorescence spectroscopy and its applications: A Review","authors":"A. Bose, Irene Thomas, G. Kavitha, E. Abraham","doi":"10.7439/IJAPA.V8I1.4578","DOIUrl":"https://doi.org/10.7439/IJAPA.V8I1.4578","url":null,"abstract":"Fluorescence spectroscopy is a rapid, sensitive method for characterizing molecular environments and events samples. Fluorimetry is chosen for its extraordinary sensitivity, high specificity, simplicity and low cost as compared to other analytical techniques. It is widely accepted and powerful technique that is used for a variety of environmental, industrial, medical diagnostics, DNA sequencing, forensics, genetic analysis and biotechnology applications. It is a valuable analytical tool for both quantitative and qualitative analysis. This article presents a brief overview of the theory of fluorescence spectroscopy, together with examples of applications of this technique in organic and inorganic chemistry, medical diagnosis, medical science etc.","PeriodicalId":14317,"journal":{"name":"International Journal of Pharmaceutical Chemistry","volume":"84 1","pages":"01-08"},"PeriodicalIF":0.0,"publicationDate":"2018-05-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"82536439","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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