International Journal of Pharmaceutical Sciences and Drug Research最新文献_第2页

Identification of Serotonin Transporter Inhibitors from Selected Marine Alkaloids: A Molecular Docking and ADME Study 从精选海洋生物碱中鉴定羟色胺转运体抑制剂：分子对接和 ADME 研究

International Journal of Pharmaceutical Sciences and Drug Research Pub Date : 2023-11-30 DOI: 10.25004/ijpsdr.2023.150614

Ummehani A Razvi, Laxmikant H Kamble

{"title":"Identification of Serotonin Transporter Inhibitors from Selected Marine Alkaloids: A Molecular Docking and ADME Study","authors":"Ummehani A Razvi, Laxmikant H Kamble","doi":"10.25004/ijpsdr.2023.150614","DOIUrl":"https://doi.org/10.25004/ijpsdr.2023.150614","url":null,"abstract":"One of the common mental illnesses that affect people worldwide is depression. It can impact people from all backgrounds and age groups. Despite having medications for depression, very few people respond to it in an efficient manner. Currently used anti-depressants show side effects like urine retention, nausea, weight gain, cardiovascular disorders, etc. Natural compounds are being evaluated for their therapeutic potential to eradicate these side effects. Metabolites obtained from marine organisms possess diverse beneficial effects. Various sponges, corals, and seaweeds contain compounds with magical properties to heal mental disorders. This study demonstrates the molecular docking of serotonin transporter (SERT) with some marine alkaloids. Results generated from PyRx virtual screening software shows that out of thirteen selected alkaloids, only gelliusine A have a higher binding affinity than the prescribed anti-depressant paroxetine. According to SwissADME, most of the selected alkaloids showed better absorption, distribution, metabolism and excretion (ADME) properties. But gelliusine A has low gastrointestinal absorption and does not cross blood-brain barrier (BBB). Further optimization and experimental investigations of these compounds are needed to enhance their properties to become better anti-depressants against reuptake of serotonin.","PeriodicalId":14278,"journal":{"name":"International Journal of Pharmaceutical Sciences and Drug Research","volume":"291 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-11-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139199844","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

DEVELOPMENT AND VALIDATION OF THE MENSTRUAL HEALTH OUTCOME QUESTIONNAIRE TO EVALUATE QUALITY OF LIFE AMONG WOMEN DURING MENSTRUAL CYCLE 开发和验证月经健康结果问卷，以评估月经周期中妇女的生活质量

International Journal of Pharmaceutical Sciences and Drug Research Pub Date : 2023-11-30 DOI: 10.25004/ijpsdr.2023.150608

Priyanka R Parmar, Shrikalp S Deshpande

{"title":"DEVELOPMENT AND VALIDATION OF THE MENSTRUAL HEALTH OUTCOME QUESTIONNAIRE TO EVALUATE QUALITY OF LIFE AMONG WOMEN DURING MENSTRUAL CYCLE","authors":"Priyanka R Parmar, Shrikalp S Deshpande","doi":"10.25004/ijpsdr.2023.150608","DOIUrl":"https://doi.org/10.25004/ijpsdr.2023.150608","url":null,"abstract":"Menstruation is a physiological process experienced by adolescent girls and women. Menstruation and premenstrual symptoms affect the Quality of Life. Different scales are available to measure QoL for different gynecological problems, but none are available for QoL during menstruation. WHO defines QoL as an individual’s perception of their position in life in the context of the culture and value systems in which they live and in relation to their goals, expectations, standards and concerns. It is a multidimensional concept that includes physical, mental, emotional and social functioning domains. It goes beyond direct measure of population health, life expectancy and causes of death and focuses on the impact of health status on quality of life. To develop a comprehensive instrument to assess the health-related QoL among women during menstruation. The creation of a scale to assess QoL during the menstrual cycle is indeed a significant endeavor. Menstrual health outcomes questionnaire contains 35 questions from different domains. After getting ethical approval pilot and pivotal study were conducted. Adolescents were randomly recruited in the study. Data was captured and entered in SPSS version 20. Principle factor analysis was determined to find construct validity among independent and dependent variables. Man-Whitney U-test was determined. A questionnaire has Cronbach’s alpha 0.796, determined 35 questions. The intraclass correlation coefficient was found 0.786. KMO and Bartlett’s test was found 0.820 with high significance (p = 0.000). The menstrual health outcome questionnaire has been established as a valid and reliable tool for assessing the QoL among women during menstruation.","PeriodicalId":14278,"journal":{"name":"International Journal of Pharmaceutical Sciences and Drug Research","volume":"615 ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-11-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139203879","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 Quantitative Approach for the Determination of Elemental Impurities in Zinc Orotate Dihydrate Drug Substance by ICP-MS Method 用 ICP-MS 方法定量测定二水合乳清酸锌药物中的元素杂质

International Journal of Pharmaceutical Sciences and Drug Research Pub Date : 2023-11-30 DOI: 10.25004/ijpsdr.2023.150611

S. B, Gurupriya G, C. R, Niranjan Babu M

{"title":"A Quantitative Approach for the Determination of Elemental Impurities in Zinc Orotate Dihydrate Drug Substance by ICP-MS Method","authors":"S. B, Gurupriya G, C. R, Niranjan Babu M","doi":"10.25004/ijpsdr.2023.150611","DOIUrl":"https://doi.org/10.25004/ijpsdr.2023.150611","url":null,"abstract":"These days elemental impurities are commonly present in active pharmaceutical ingredients, raw materials, during the synthesis of compounds, drug excipients, finished products, equipment, containers and closures. Inductively coupled plasma mass spectrometry (ICP-MS) is one of the advanced techniques to analyze elemental impurities in drug substances. An ICP-MS method was developed and validated for testing 17 elements, namely, V, Co, Ni, As, Se, Ru, Rh, Pd, Ag, Cd, Os, Ir, Pt, Au, Hg, Tl, and Pb in zinc orotate dihydrate. The samples were analyzed after diluting with concentrated nitric acid and concentrated hydrochloric acid. Li, Y, Tl, Co and Ce were assigned tuning solutions to correct the baseline drift and matrix interference. The RF power was 1550 W, RF matching was 1.80 V, sample depth was 8.0 mm, nebulizer gas flow was 1.01 L/min, nebulizer pump flow was 0.10 rps, spray chamber temperature 2oC, He flow rate was 4.3 mL/min and the energy discrimination rate was 3.0 V. All 17 elements exhibited excellent linearity in their testing range, with a coefficient of determination ≥ 0.9996. The limits of detection of the 17 elements were within the range of 0.0004 to 0.00411 ppm. The intra- and inter-day precision (relative standard deviation) was <6.4%. The recoveries of the spiked standard for all elements were 88.5 to 108.2%. Among the 17 elements of the zinc orotate dihydrate, the measured results of all the 17 elements were within the specified range, and the results of all the elements were also satisfactory. The developed method was simple, rapid, and effective. This method can be a powerful tool and imperative technology for the quantification of compounds in drug substances and pharmaceutical industries.","PeriodicalId":14278,"journal":{"name":"International Journal of Pharmaceutical Sciences and Drug Research","volume":"44 4","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-11-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139206844","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

Development and Validation of the Stability indicating Assay Methodology Employing LC-MS/MS for Concurrent Quantification of Dapagliflozin Propanediol Monohydrate and Metformin Hydrochloride: Probable Degradants based on Mass Spectra 采用 LC-MS/MS 同时定量 Dapagliflozin Propanediol Monohydrate 和盐酸二甲双胍的稳定性指示检测方法的开发与验证：基于质谱的可能降解物

International Journal of Pharmaceutical Sciences and Drug Research Pub Date : 2023-10-20 DOI: 10.25004/ijpsdr.2023.150510

N. S. Patel, Bhavesh H Patel, Mona A Kaushal

{"title":"Development and Validation of the Stability indicating Assay Methodology Employing LC-MS/MS for Concurrent Quantification of Dapagliflozin Propanediol Monohydrate and Metformin Hydrochloride: Probable Degradants based on Mass Spectra","authors":"N. S. Patel, Bhavesh H Patel, Mona A Kaushal","doi":"10.25004/ijpsdr.2023.150510","DOIUrl":"https://doi.org/10.25004/ijpsdr.2023.150510","url":null,"abstract":"For the concurrent measurement of dapagliflozin propanediol monohydrate (DAPA) and metformin hydrochloride (MET) in combined dosage form, a quick, accurate, specific and easy liquid chromatography tandem mass spectrometry (LC-MS/MS) approach was created. The method was performed on a column C8 RRHD Eclipse (150 × 4.60 mm, 5 μm). In 5 mM ammonium acetate buffer pH-4.0, methanol and acetonitrile were the components of the mobile phase in the ratios of 30:65:05, respectively. The effluent was detected at 227 nm at a 0.4 mL/min flow rate. The observed retention times for DAPA and MET were 7.297 and 3.230 minutes, respectively. The drug was stressed by being exposed to acid and alkali hydrolysis. From the mass spectra, it was found that two degradant peaks were observed in the standard mixture and the sample during alkali stress condition and probable degradants formed. The developed approach was validated in accordance with ICH guidelines. With correlation coefficients of 0.9969 for DAPA and 0.9975 for MET, it was discovered that the standard curve was linear over the range of 60 to 140 and 300 to 700 μg/mL for DAPA and MET, respectively. The limit of detection (LoD) was 2.959 and 8.893 μg/mL for DAPA and MET, respectively. The limit of quantification (LoQ) was 8.967 and 26.949 μg/mL for DAPA and MET, respectively. The %recovery was determined in between 98 to 102%. The precision was within the limit (Relative Standard Deviation (RSD) <2%). The proposed stability indicates that LC-MS/MS method can be successfully utilized for simultaneous estimation of DAPA and MET in combined dosage form without any prior separation of individual drugs and no interference was found due to degradant formed during stress condition.","PeriodicalId":14278,"journal":{"name":"International Journal of Pharmaceutical Sciences and Drug Research","volume":"58 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139316207","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

Design, Synthesis and Antifungal Evaluation of N-Substituted Maleimide Derivatives with Imidazole and 2-Methyl Imidazole Moieties 具有咪唑和 2-甲基咪唑分子的 N-取代马来酰亚胺衍生物的设计、合成和抗真菌评估

International Journal of Pharmaceutical Sciences and Drug Research Pub Date : 2023-10-20 DOI: 10.25004/ijpsdr.2023.150513

Nitin Gaikwad, R. Deshmukh, M. Dumbare, Keshav Mahale

{"title":"Design, Synthesis and Antifungal Evaluation of N-Substituted Maleimide Derivatives with Imidazole and 2-Methyl Imidazole Moieties","authors":"Nitin Gaikwad, R. Deshmukh, M. Dumbare, Keshav Mahale","doi":"10.25004/ijpsdr.2023.150513","DOIUrl":"https://doi.org/10.25004/ijpsdr.2023.150513","url":null,"abstract":"A series of N-substituted maleimide derivatives with an attached imidazole and 2-methyl imidazole heterocyclic rings were designed, synthesized and evaluated for their antifungal activity against four pathogenic fungi. 1H-NMR, 13C-NMR and mass spectra confirmed the chemical structures of all synthesized compounds. All compounds 4a-4g, 5b and 5f were initially screened for qualitative (zone of inhibition) antifungal activity against C. albicans, A. fumigatus, A. niger, and A. oryzae. The screening results indicate that most of the synthesized compounds showed significant antifungal activity against the tested fungi. Furthermore, the compounds that showed a significant zone of inhibition were selected and tested quantitatively (MIC50 and IC50) against the same pathogenic fungi species. The MIC50 and IC50 results of selected compounds were analyzed. These results strongly suggest that compound 5f has shown promising antifungal activity. Furthermore, the structure–activity relationship of compound 5f revealed that the compound substituted with the –F group possess prominent antifungal activity.","PeriodicalId":14278,"journal":{"name":"International Journal of Pharmaceutical Sciences and Drug Research","volume":"17 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139315863","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

Evaluation of Baicalein Loaded Hydrogel for Management of Diabetic Wound Healing 评估含黄芩素水凝胶在糖尿病伤口愈合管理中的应用

International Journal of Pharmaceutical Sciences and Drug Research Pub Date : 2023-10-20 DOI: 10.25004/ijpsdr.2023.150505

K. D. Baviskar, S. Lodhi

{"title":"Evaluation of Baicalein Loaded Hydrogel for Management of Diabetic Wound Healing","authors":"K. D. Baviskar, S. Lodhi","doi":"10.25004/ijpsdr.2023.150505","DOIUrl":"https://doi.org/10.25004/ijpsdr.2023.150505","url":null,"abstract":"The Present study aimed to perform a detailed in-vivo study of prepared baicalein (BCA) loaded hydrogel for wound healing effect and effect was compared with the marketed formulation. Prepared hydrogels were characterized and optimized already in previous study. Baicalein-loaded hydrogel (GG-GC-HGs) was prepared by using glycol chitosan gellan gum polymers. Prepared hydrogels were evaluated for wound healing effect using diabetic wound model (Streptozotocin induced) in rats. The wound healing effect was observed by measurement of wound contraction and biochemical estimation (Hydroxyproline, protein content and antioxidant assay) in the wound tissue after treatment. Histological examination of wound tissue was observed. Results of study showed that percent wound contraction of baicalein loaded GG-GC-HGs treated animal group showed a significant (p < 0.05) reduction after 10th day of treatment and healed completely on 18th day. Hydroxyproline and protein content were increased significantly with treatment of baicalein-loaded GG-GC-HGs and results were comparable with reference group (Hydroheal Gel) of animals. Antioxidant status was restored after treatment with BCA loaded GG-GC-HGs. The histological observation of wound tissues supported these results. In conclusion, baicalein loaded hydrogel showed prominent wound healing effect through increasing epithelialization, fibroblast proliferation and reducing oxidative stress in diabetic condition.","PeriodicalId":14278,"journal":{"name":"International Journal of Pharmaceutical Sciences and Drug Research","volume":"32 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139316284","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

Neuroprotective Activity of Premna latifolia on Streptozotocin Induced Diabetic Neuropathy in Rats 厚朴对链脲佐菌素诱导的糖尿病大鼠神经病变的神经保护作用

International Journal of Pharmaceutical Sciences and Drug Research Pub Date : 2023-10-20 DOI: 10.25004/ijpsdr.2023.150509

Neelakanth M. Jeedi, S. K. Nimbal, Santosh B Patil

{"title":"Neuroprotective Activity of Premna latifolia on Streptozotocin Induced Diabetic Neuropathy in Rats","authors":"Neelakanth M. Jeedi, S. K. Nimbal, Santosh B Patil","doi":"10.25004/ijpsdr.2023.150509","DOIUrl":"https://doi.org/10.25004/ijpsdr.2023.150509","url":null,"abstract":"The leaves of plant Premna latifolia Lam are traditionally used for treating diabetes and related complications. Presently ethanolic extract of leaves of plant P. latifolia explored for the neuroprotective potential in rat model of streptozotocin induced diabetic neuropathy. The intra-peritoneal route administered streptozotocin 60 mg/kg body weight to induce experimental diabetes, then treatment were not given for two weeks to develop diabetic complications. After two weeks of induction, animals were treated with extract 100 and 200 mg/kg per day for the duration of five weeks. The neuroprotective effect was assessed using Eddy’s hot plate and tail immersion method. Also, measuring blood sugar and cytokines cause inflammations like interleukins, tumor necrosis factor and a neurotrophin in the sciatic nerve. Thiobarbituric acid reactive substances reduced glutathione and activity levels of catalase, superoxide dismutase, glutathione peroxidase and glutathione reductase measured in the sciatic tissue. Extract normalizes blood glucose in diabetic neuropathy rats brought on by streptozotocin. The diabetic neuropathy rats show significant reductions in the period when the tail retracts and the paws are licked or jumped. In these rats pro-inflammatory cytokines level in sciatic nerve was significantly high. In addition, the oxidative stress bio-markers level altered significantly in sciatic nerve tissue. Diabetic neuropathy-developing rats treated with extract for five weeks reduce the levels of nerve growth factor, oxidative stress indicators, and pro-inflammatory cytokines rise in the sciatic nerve tissue. Ethanolic extract of P. latifolia possesses neuroprotective action in streptozotocin-induced diabetic neuropathy.","PeriodicalId":14278,"journal":{"name":"International Journal of Pharmaceutical Sciences and Drug Research","volume":"55 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139315879","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

Computer-Assisted Design of Benzoisoxazol derivatives Inhibitors of Bromodomain-containing Protein 4 (BRD4) with Favorable Pharmacokinetic Profile 计算机辅助设计具有良好药代动力学特征的含溴结构域蛋白 4 (BRD4) 苯并异噁唑衍生物抑制剂

International Journal of Pharmaceutical Sciences and Drug Research Pub Date : 2023-10-20 DOI: 10.25004/ijpsdr.2023.150514

Rika J Kouadja, Logbo M Mouss, K. C. Kouman, M. Nsangou, E. Megnassan

{"title":"Computer-Assisted Design of Benzoisoxazol derivatives Inhibitors of Bromodomain-containing Protein 4 (BRD4) with Favorable Pharmacokinetic Profile","authors":"Rika J Kouadja, Logbo M Mouss, K. C. Kouman, M. Nsangou, E. Megnassan","doi":"10.25004/ijpsdr.2023.150514","DOIUrl":"https://doi.org/10.25004/ijpsdr.2023.150514","url":null,"abstract":"We performed a relation computed-aided design based on the structure of benzo[d]isoxazol derivatives inhibitors (BDIO) derivatives, new potent inhibitors of the BRD4 protein. By using in-situ modifications of the three dimensional (3D) models of BRD4-BDIOx complex (Protein Data Bank (PDB) entry code: 5Y8Z) were prepared for the training and validation sets compounds of 29 BDIOx with observed inhibitory potencies (). We first built a quantitative structure activity relationship (QSAR) model in the gas phase, linearly correlating the calculated enthalpies of the BRD4-BDIOx complex formation with (; = 0,80) first and then a superior QSAR model was brought forth, correlating computed relative Gibbs’ free energies of complexation and ( = -0.1205 + 6.9374 ; = 0.96) which was then validated by a 3D-QSAR pharmacophore generation model (PH4) ( = 0.996 + 0.0554 ; = 0.95). The structural information of the active conformation of the training set BDIOs from the models guided us in the design of a virtual combinatorial library (VCL) of 99 225 analogs. We then filtered the VCL by applying Lipinski’s rule-of-five, in order to identify new BDIOs drug likely analogs. The pharmacophore (PH4)-based screening retained 106 new and potent BDIOs with predicted inhibitory potencies up to 158 times more active than the most active traing set BDIO1 (). Finally, the predicted pharmacokinetic profiles of the best potent of these new analogs () were compared to current orally administered anticancer drugs. This computational approach, which combines molecular mechanics and the Poisson–Boltzmann (PB) implicit solvation theory, the pharmacophore model, the analysis of BRD4-BDIOs interaction energies, the in-silico screening of VCL compounds, and the inference of ADME properties resulted in a set of new suggested BRD4 inhibitors for the fight against CRPC.","PeriodicalId":14278,"journal":{"name":"International Journal of Pharmaceutical Sciences and Drug Research","volume":"29 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139316335","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

In-silico Studies of Quinazolinone Analogues to Distinguish their Hypothetical Binding Mode using the X-ray crystal Structure Human carbon Anhydrase II (HCAII) Enzyme Complex with Sugar Sulfamate for Anticonvulsant Activity 利用 X 射线晶体结构区分喹唑啉酮类似物假想结合模式的室内研究人碳酐酶 II (HCAII) 与氨基磺酸糖的酶复合物的抗惊厥活性

International Journal of Pharmaceutical Sciences and Drug Research Pub Date : 2023-10-20 DOI: 10.25004/ijpsdr.2023.150516

R. D. Amrutkar, M. S. Ranawat

{"title":"In-silico Studies of Quinazolinone Analogues to Distinguish their Hypothetical Binding Mode using the X-ray crystal Structure Human carbon Anhydrase II (HCAII) Enzyme Complex with Sugar Sulfamate for Anticonvulsant Activity","authors":"R. D. Amrutkar, M. S. Ranawat","doi":"10.25004/ijpsdr.2023.150516","DOIUrl":"https://doi.org/10.25004/ijpsdr.2023.150516","url":null,"abstract":"The quinazolinone moiety is a significant pharmacophore that depicts various types of pharmacological activities as shown in recent exhaustive ligatures. Quinazolinone exhibit potent central nervous system (CNS) activities like anti-anxiety, analgesic, anti-inflammatory and anticonvulsant. To develop these views and application profiles, attempt have been made to report a drug/ligand or receptor/protein interactions by identifying the suitable active site against X-ray crystal structure of Human Carbonic Anhydrase II (HCA II) enzyme for anticonvulsant activity using Vlife MDS version 4.6 Software because the protein-ligand interaction plays a significant role in structural based drug designing. The interaction was evaluated based on the score comparison between quinazolinone derivatives with sugar sulfamate. The quinazolinone ring forms hydrophobic and hydrogen bond contacts amino acid residues. The ligands 4t and 4s were shown to possess minimum dock score i.e. minimum binding energy in Kcal/mole i.e. these molecules has more affinity for the active site of the receptor. Molecules with low dock score and binding energy show more affinity towards the receptor. The data reported in this article may be helpful for the medicinal chemists who are working in this area.","PeriodicalId":14278,"journal":{"name":"International Journal of Pharmaceutical Sciences and Drug Research","volume":"7 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139316171","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 Novel Validated HS-GC-MS method for the Trace Level Determination of Acetyl Chloride as Isopropyl Acetate in Various Anti-cancer Drug Substances 用于痕量测定各种抗癌药物中作为乙酸异丙酯的乙酰氯的新型验证 HS-GC-MS 方法

International Journal of Pharmaceutical Sciences and Drug Research Pub Date : 2023-10-20 DOI: 10.25004/ijpsdr.2023.150504

Srivalli Kasina, Annapurna Nowduri, R. Chavakula

{"title":"A Novel Validated HS-GC-MS method for the Trace Level Determination of Acetyl Chloride as Isopropyl Acetate in Various Anti-cancer Drug Substances","authors":"Srivalli Kasina, Annapurna Nowduri, R. Chavakula","doi":"10.25004/ijpsdr.2023.150504","DOIUrl":"https://doi.org/10.25004/ijpsdr.2023.150504","url":null,"abstract":"A novel, simple and precise headspace gas chromatography-mass spectrometry (HS-GC-MS) method was developed and validated for the determination of acetyl chloride (AC) in various anti-cancer drug substances like bendamustine HCl, Ibrutinib, trifluridine and abemaciclib drug substances. In this methodology, AC reacts with isopropyl alcohol and is converted into isopropyl acetate. Hence AC is quantified as Isopropyl acetate. The lower level of detection was achieved on the capillary GC column (DB-624, Fused silica capillary column; 30 m length; 0.32 mm internal diameter, coated with 6% Cyanopropylphenyl and 94% dimethyl polysiloxane stationary phase of 1.8 μm film thickness) with electron impact ionization (EI) technique by GC-MS in selective ion monitoring (SIM) mode. The mass ions were selected for the quantifier is 63 and the qualifier is 87 for isopropyl acetate. The performance of the method was assessed by evaluating the specificity, linearity, sensitivity, precision, accuracy and robustness experiments. The established limit of detection and limit of quantification values for the AC were 0.1 and 0.3 μg/g, respectively. This developed method was found to be linear with a correlation coefficient is greater than 0.999 for all four drug substances. The average recoveries of AC in bendamustine HCl, ibrutinib, trifluridine and abemaciclib were obtained 106.1, 109.0, 97.4 and 101.6%, respectively. The proposed method was validated successfully as per ICH guidelines. Hence, the proposed method can be routinely used for the quantification of AC in various anti-cancer drug substances.","PeriodicalId":14278,"journal":{"name":"International Journal of Pharmaceutical Sciences and Drug Research","volume":"59A 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139316457","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