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COMPUTATIONAL IDENTIFICATION OF SELECTED BIOACTIVE COMPOUNDS FROM CEDRUS DEODARA AS INHIBITORS AGAINST SARS-COV-2 MAIN PROTEASE: A PHARMACOINFORMATICS STUDY 计算鉴定雪松中可作为 SARS-COV-2 主要蛋白酶抑制剂的部分生物活性化合物:药物信息学研究
Q4 Pharmacology, Toxicology and Pharmaceutics Pub Date : 2024-02-28 DOI: 10.53879/id.61.02.13859
Aminabee Shaik, L. R. Atmakuri
Amid the ongoing Covid-19 pandemic, the quest for potent antiviral treatments intensifies. This study focuses on the potential of bioactive compounds from the Himalayan cedar Cedrus deodara against the SARS-CoV-2 virus. Specifically targeting the main protease (MPro) and spike protein, the study employs docking trials and molecular dynamics simulations. Compounds such as quercetin, dihydrodehydrodiconiferyl alcohol, and cedeodarin exhibit notable binding affinity, surpassing the reference drug favipiravir. Molecular dynamics simulations affirm the stability of these complexes throughout the simulation period. While these findings underscore promising interactions, it is crucial to emphasize the need for further research and experimental validation to fully explore the therapeutic capabilities of C. deodara in combatting Covid-19.
随着 Covid-19 病毒的不断流行,人们对强效抗病毒疗法的探索也在不断深入。本研究的重点是喜马拉雅雪松中的生物活性化合物对 SARS-CoV-2 病毒的潜在作用。该研究特别针对主蛋白酶(MPro)和尖峰蛋白,采用了对接试验和分子动力学模拟。槲皮素、二氢脱氢二硅氧烷醇和西地达林等化合物表现出显著的结合亲和力,超过了参考药物法非拉韦。分子动力学模拟证实了这些复合物在整个模拟期间的稳定性。尽管这些发现强调了有前景的相互作用,但仍需强调进一步研究和实验验证的必要性,以充分探索 C. deodara 在抗击 Covid-19 方面的治疗能力。
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引用次数: 0
MECHANISTIC OUTCOMES OF LIPID CORE ON SOLID LIPID NANOPARTICLE CHARACTERIZATION 脂质核心对固体脂质纳米粒子特性的机理影响
Q4 Pharmacology, Toxicology and Pharmaceutics Pub Date : 2024-02-28 DOI: 10.53879/id.61.02.13881
Juna B. Chacko, G. R. Vijayasankar, Bendi S. Venkateswarlu, Margret C. Rajappa
In our present study, solid lipid nanoparticles were fabricated by modified double emulsification followed by ultracentrifugation method. The SLNs of the anti-HIV drugs lamivudine, tenofovir disoproxil fumarate and efavirenz were synthesized using lipids Compritol 888 ATO, glyceryl monostearate, stearic acid and emulsifiers soy lecithin and Pluronic®F68. The synthesized SLNs were characterized for compatibility studies, mean particle size, PDI, zeta potential, surface morphology and entrapment studies. The higher amount of Compritol based SLNs formulation showed maximum entrapment efficiency with comparatively larger sized, homogenous particles. All the lipid based SLNs possessed no incompatibilities and showed high stability profiles. Based on the results of surface morphology, zeta potential and high entrapment efficiency values, the optimum lipid for SLNs formulation among the other lipids was determined to be Compritol 888 ATO.
本研究采用改良的双乳化法和超速离心法制备了固体脂质纳米颗粒。使用脂质 Compritol 888 ATO、单硬脂酸甘油酯、硬脂酸以及乳化剂大豆卵磷脂和 Pluronic®F68 合成了抗艾滋病毒药物拉米夫定、富马酸替诺福韦二吡呋酯和依非韦伦的 SLNs。对合成的 SLN 进行了相容性研究、平均粒径、PDI、zeta 电位、表面形态和包埋研究。含有较多康普托醇的 SLNs 配方显示出最大的夹持效率,颗粒相对较大且均匀。所有基于脂质的 SLNs 都没有不相容性,并显示出较高的稳定性。根据表面形态、ZETA电位和高夹持效率值的结果,确定 Compritol 888 ATO 是其他脂质中最适合用于 SLNs 配方的脂质。
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引用次数: 0
RP-HPLC METHOD DEVELOPMENT AND VALIDATION FOR QUANTITATIVE ESTIMATION OF TEMOZOLOMIDE AND (S) - PERILLYL ALCOHOL IN NANOPARTICULATE DOSAGE FORM 纳米微粒剂型中替莫唑胺和(s)-紫苏醇定量估算的 RP-HPLC 方法开发与验证
Q4 Pharmacology, Toxicology and Pharmaceutics Pub Date : 2024-02-28 DOI: 10.53879/id.61.02.13782
N. Desai, M. Momin, Tabassum Khan
A quick reverse-phase high-performance liquid chromatography (RP-HPLC) approach for the quantitative measurement of temozolomide (TMZ) and (s) - perillyl alcohol [(S)-POH] in a nanoparticulate system was developed and validated in the current work. The RP-HPLC method for the simultaneous estimation of TMZ and (S)-POH was developed using Agilent (Infinity 1260) HPLC system and ZorbaxC18 (4.6 x 150 mm i.d., 5µ; Agilent) as stationary phase. The optimized mobile phase comprised of ACN: water: MeOH (42:12:46 V/V/V; 42:08:50 V/V/V and 20:30:50 V/V/V) pumped at a flow rate of 0.8 mL min-1, 0.8 mL min-1 and 1 mL min-1, respectively. Drug separation was accomplished in an isocratic mode, and a PDA detector operating at 210 nm was used to track elution. The procedure was validated in accordance with ICH-Q2R1 standards. The responses of TMZ and (S)- POH were found to be linear at 50-175 μg mL-1 (ACN: water: MeOH 42:12:46 V/V/V and 42:08:50 V/V/V) and 50-175 μg mL-1 (ACN: water: MeOH 20:30:50 V/V/V) respectively. The percent recovery was determined to be between 97% and 103%, demonstrating that the method’s accuracy was adequate. The precision study’s percent relative standard deviation (% RSD) was less than 2, indicating the accuracy of the suggested procedure. It was discovered that the established method for the quantitative determination of TMZ and (S)- POH in bulk and in hollow gold nanoparticles was accurate, precise, and specific. The developed technique can be applied to TMZ and (S)- POH routine testing and quality control in bulk and nanoparticulate systems.
本研究开发并验证了一种快速反相高效液相色谱(RP-HPLC)方法,用于定量测定纳米颗粒体系中的替莫唑胺(TMZ)和(s)-perillyl 醇[(S)-POH]。采用Agilent(Infinity 1260)高效液相色谱仪和ZorbaxC18(4.6 x 150 mm i.d.,5µ;Agilent)作为固定相,建立了同时测定TMZ和(S)-POH的RP-HPLC方法。优化后的流动相为 ACN:水;MeOH(42:12:46):MeOH(42:12:46 V/V/V;42:08:50 V/V/V 和 20:30:50 V/V/V)组成,流速分别为 0.8 mL min-1、0.8 mL min-1 和 1 mL min-1。药物分离以等度模式进行,并使用波长为 210 nm 的 PDA 检测器跟踪洗脱情况。该程序按照 ICH-Q2R1 标准进行了验证。TMZ 和 (S)- POH 的线性范围分别为 50-175 μg mL-1 (ACN:水:MeOH 42:12:46 V/V/V 和 42:08:50 V/V/V)和 50-175 μg mL-1 (ACN:水:MeOH 20:30:50 V/V/V)。测定的回收率在 97% 至 103% 之间,表明该方法具有足够的准确性。精密度研究的相对标准偏差(% RSD)小于 2,表明所建议的程序是准确的。结果表明,所建立的定量测定散装和空心金纳米颗粒中TMZ和(S)- POH的方法准确、精确、特异。所开发的技术可用于散装和纳米颗粒体系中TMZ和(S)- POH的常规检测和质量控制。
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引用次数: 0
PREPARATION AND EVALUATION OF MELOXICAM CHEWABLE TABLETS FOR BETTER ORAL DELIVERY 制备和评估美洛昔康咀嚼片,提高口服给药效果
Q4 Pharmacology, Toxicology and Pharmaceutics Pub Date : 2024-02-28 DOI: 10.53879/id.61.02.14061
Garima Sharma, Manish Dhall
In the current study, meloxicam (MXM) chewable tablets were formulated and evaluated with an aim of improving its solubility, bioavailability and masking its bitter taste in order to create an effective oral drug delivery system. Meloxicam (BCS class II drug), non steroidal anti-inflammatory drug (NSAID) with analgesic and antipyretic properties, acts by inhibition of prostaglandin synthetase leading to inhibition of prostaglandin synthesis. MXM chewable tablets were made by three different techniques: AG (aqueous granulation), NAG (non-aqueous granulation) and DC (direct compression). The chewable tablets of MXM so prepared were assessed for various parameters, namely, palatability test, hardness, weight variation, mechanical strength, disintegration, friability, percent assay and in vitro testing for dissolution profile. The variation found in dissolution profile for all prepared batches was in the order: DC>NAG>AG. The percent assay was found within the range (90-110%). Observations from palatability study showed good overall tolerance levels for DC and AG and moderate tolerance levels for NAG.
本研究对美洛昔康(MXM)咀嚼片进行了配制和评估,目的是提高其溶解度和生物利用度,并掩盖其苦味,从而创造出一种有效的口服给药系统。美洛昔康(BCS II 类药物)是一种非甾体抗炎药(NSAID),具有镇痛和解热作用,其作用原理是抑制前列腺素合成酶,从而抑制前列腺素的合成。MXM 咀嚼片采用三种不同的技术制成:AG(水性制粒)、NAG(非水性制粒)和 DC(直接压制)。对制备的 MXM 咀嚼片进行了各种参数评估,即适口性测试、硬度、重量变化、机械强度、崩解度、易碎性、百分含量测定和体外溶出度测试。发现所有制备批次的溶出曲线变化顺序为DC>NAG>AG。化验百分率在 90-110% 的范围内。适口性研究表明,DC 和 AG 的总体耐受性良好,NAG 的耐受性适中。
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引用次数: 0
PHYSICOCHEMICAL AND PHARMACOKINETIC ANALYSIS AND DOCKING OF DRUG REPOSITIONING AGAINST SARS-COV-2: AN IN SILICO STUDY 针对 SARS-COV-2 的药物重新定位的理化和药代动力学分析及对接:一项硅学研究
Q4 Pharmacology, Toxicology and Pharmaceutics Pub Date : 2024-02-28 DOI: 10.53879/id.61.02.14233
Jackson A. Pereira, Eduardo D. Costa
Studies on the development of effective and cost-effective oral drugs are the new priority of the pharmaceutical industry for the prevention and treatment of COVID-19. This work was based on the computational analysis of physicochemical parameters, pharmacokinetic and toxicological measurements, molecular docking and in silico measurement of the antiviral activity of 12 repositionable drugs. The Molinspiration platform (physical-chemical parameters), pkCSM® (absorption, distribution, metabolism and excretion), OSIRIS Property Explorer® (toxicological measurements), Seam® (Docking with the RdRp protein) and AVCpred server® (antiviral activity) were used. Considering the 12 selected repositionable drugs, molecular anchoring data with the RdRp protein, only the drug tilorone had lower binding energy than the control used in this study (Molnupiravir). Ledipasvir, daclatasvir and piperaquine showed the best percentage of antiviral inhibition considering the control pattern. ADMETox data showed that piperaquine has a high toxicological potential for mutagenesis, tumorigenesis and irritant effects. The findings of this study indicate that ledipasvir and daclatasvir showed greatest potential for inhibition RdRp and action against COVID-19.
研究开发有效且具有成本效益的口服药物是制药业预防和治疗 COVID-19 的新重点。这项工作基于对 12 种可重新定位的药物的理化参数、药代动力学和毒理学测量、分子对接和抗病毒活性硅学测量的计算分析。使用了 Molinspiration 平台(物理化学参数)、pkCSM®(吸收、分布、代谢和排泄)、OSIRIS Property Explorer®(毒理学测量)、Seam®(与 RdRp 蛋白对接)和 AVCpred server®(抗病毒活性)。考虑到所选的 12 种可重新定位的药物与 RdRp 蛋白的分子锚定数据,只有药物替罗酮的结合能低于本研究中使用的对照组(莫能吡拉韦)。考虑到对照模式,来替帕韦、达卡他韦和哌拉喹的抗病毒抑制率最高。ADMETox 数据显示,哌喹具有较高的诱变、致瘤和刺激毒性。本研究结果表明,ledipasvir 和 daclatasvir 对 RdRp 的抑制和对 COVID-19 的作用潜力最大。
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引用次数: 0
NOVEL UV SPECTROPHOTOMETRIC METHOD FOR SIMULTANEOUS ESTIMATION OF MONTELUKAST SODIUM AND OLOPATADINE HYDROCHLORIDE USING ABSORBANCE CORRECTION PRINCIPLE 利用吸光度校正原理同时测定孟鲁司特钠和盐酸奥洛他定的新型紫外分光光度法
Q4 Pharmacology, Toxicology and Pharmaceutics Pub Date : 2024-02-28 DOI: 10.53879/id.61.02.13426
Vidhi Bhanushali, Celina Nazareth, Rakshanda S. Khorjuwenkar
A simple, accurate and economical UV spectroscopic method has been developed for the simultaneous estimation of olopatadine hydrochloride and montelukast sodium. The developed method is based on the determination of the two drugs using UV absorbance correction principle. The wavelengths chosen for analysis were 352 nm for montelukast sodium (as absorbance due to the other drug was nil at this wavelength) and 298.5 nm for olopatadine hydrochloride (corrected for absorbance due to montelukast sodium) with water as diluent. The Beer-Lambert’s range for the two drugs was found to be 2-100 μg mL-1 at 298.5 nm and 2-70 μg mL-1 at 352 nm for montelukast sodium with r2 of ≥ 0.990. The developed method was validated as per ICH guidelines and the percentage assay results were within acceptable limits. The developed method can thus be successfully used for the regular analysis of olopatadine hydrochloride and montelukast sodium in bulk and in combination.
本研究建立了一种简单、准确、经济的紫外光谱法,用于同时测定盐酸奥洛他定和孟鲁司特钠。所开发的方法基于紫外吸光度校正原理来测定这两种药物。选择的分析波长为:孟鲁司特钠为 352 nm(因为在此波长下另一种药物的吸光度为零),盐酸奥洛他定为 298.5 nm(修正了孟鲁司特钠的吸光度),稀释剂为水。在 298.5 nm 波长和 352 nm 波长下,两种药物的比尔-朗伯吸光度范围分别为 2-100 μg mL-1 和 2-70 μg mL-1,r2 ≥ 0.990。根据 ICH 指南对所开发的方法进行了验证,检测结果的百分比在可接受的范围内。因此,所开发的方法可成功地用于盐酸奥洛他定和孟鲁司特钠散剂和复方制剂的常规分析。
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引用次数: 0
PREPARATION AND CHARACTERIZATION OF MICROSPHERES UTILIZING RATE-CONTROLLING MEMBRANES FOR THE MANAGEMENT OF DIABETES MELLITUS 利用速率控制膜制备和表征用于治疗糖尿病的微球
Q4 Pharmacology, Toxicology and Pharmaceutics Pub Date : 2024-02-28 DOI: 10.53879/id.61.02.14270
Nitu Patidar, N. Farooqui, Darshan Jamindar, D. K. Mishra, Rajat Goyal, Hitesh Chopra, R. Gautam
The present research work aimed at the formulation of film-coated microspheres incorporating glibenclamide drug and their evaluation for the management of diabetes mellitus (DM). Microspheres were prepared by solvent evaporation methodology by the usage of ethyl cellulose as polymer, ethanol and dichloromethane as solvents and Tween 80® as a non-ionic surfactant. The film-coated membrane was prepared by pan coating method, incorporating ethyl cellulose, isopropyl alcohol, diethyl phthalate and sodium lauryl sulfate. This film membrane was coated on microspheres with the help of a spray gun. The efficiency of entrapment of the film coated microspheres of F5* batch, among different formulations, is highest and comes out to be in the range of 76.65±0.58. The percentage yield was observed to be 73.32±0.14. Morphological studies conducted by scanning electron microscope show spherical microspheres of uniform size. In vitro drug release study conducted of the coated microspheres of glibenclamide shows the highest amount of release of 97.44% in the F5*batch. The best-fit model was determined by the highest R2 value. Further, the developed formulation helps in reduction in dose dumping, with better patient compliance, and also masks the bitter taste of the drug.
本研究旨在制备含格列本脲药物的薄膜包衣微球,并对其用于糖尿病(DM)治疗的效果进行评估。微球的制备采用溶剂蒸发法,以乙基纤维素为聚合物,乙醇和二氯甲烷为溶剂,吐温 80® 为非离子表面活性剂。薄膜涂层膜是通过平涂法制备的,其中加入了乙基纤维素、异丙醇、邻苯二甲酸二乙酯和十二烷基硫酸钠。利用喷枪将薄膜涂覆在微球上。在不同的配方中,F5*批次的薄膜包衣微球的夹带效率最高,为 76.65±0.58。产率为 73.32±0.14。用扫描电子显微镜进行的形态学研究显示,微球呈球形,大小均匀。对格列本脲包衣微球进行的体外药物释放研究表明,F5*批次的释放量最高,达 97.44%。根据最高的 R2 值确定了最佳拟合模型。此外,所开发的制剂有助于减少剂量倾倒,提高患者的依从性,还能掩盖药物的苦味。
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引用次数: 0
NEED/ROLE OF GENERATIVE AI IN PHARMACEUTICAL RESEARCH 生成性人工智能在药物研究中的需求/作用
Q4 Pharmacology, Toxicology and Pharmaceutics Pub Date : 2024-02-28 DOI: 10.53879/id.61.02.p0005
Dear Reader, In current times, when countries like Singapore are relying mainly on "Gen AI" (General Artificial Intelligence) for hastening the growth and modernization of the pharma industry, pharma leaders like India need to incorporate the latest trends in digital to Gen AI in the curriculum of the pharmacy degree and post-graduate degrees.
亲爱的读者,当前,新加坡等国主要依靠 "Gen AI"(通用人工智能)来加速制药业的发展和现代化,印度等制药业领导者需要将数字化到 Gen AI 的最新趋势纳入药学学位和研究生学位的课程中。
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引用次数: 0
THE GENUS LITSEA: A REVIEW OF ITS CYTOTOXIC POTENTIAL AND PHYTOCHEMISTRY 石莲花属:细胞毒性潜力和植物化学综述
Q4 Pharmacology, Toxicology and Pharmaceutics Pub Date : 2024-02-28 DOI: 10.53879/id.61.02.12907
Sayali Churi, Tabassum Khan
The family Lauraceae includes various genus in which Litsea has around 200-400 varieties which are widely scattered in the tropical and semi-tropical zones. In China, Litsea species are used traditionally in many disease conditions such as bone pain, diarrhoea, edema, dyspepsia, gastroenteritis and colds. Litsea glutinosa has been traditionally used in the treatment of tumors by the local people of Chittagong Hill Tracts, Bangladesh. Also, 15 other Litsea species are reported to have cytotoxic activity against various cancer cell lines, making this genus a promising potential source of anticancer compounds. This review provides comprehensive information about the cytotoxicity potential of various species in the genus Litsea along with secondary metabolites responsible, and its potential utility in lung, breast, hepatocellular, ovarian, prostate, colon and cervical cancer therapeutics as a botanical product. The published cytotoxicity data of these plants are mainly based on in vitro studies with very few molecular levels and mechanistic studies conducted. The optimistic results of these 16 species open unexplored vistas of natural product chemistry and the anticancer potential of this genus.
月桂科包括多个属,其中月桂属约有 200-400 个品种,广泛分布于热带和半热带地区。在中国,崖豆属植物传统上用于治疗骨痛、腹泻、水肿、消化不良、肠胃炎和感冒等多种疾病。孟加拉国吉大港山区(Chittagong Hill Tracts)的当地人传统上使用谷丁草(Litsea glutinosa)治疗肿瘤。此外,据报道,还有 15 种其他岩蔷薇属植物对各种癌细胞株具有细胞毒性活性,使该属植物成为抗癌化合物的潜在来源。这篇综述全面介绍了 Litsea 属不同物种的细胞毒性潜力及其次生代谢物,以及其作为植物产品在肺癌、乳腺癌、肝癌、卵巢癌、前列腺癌、结肠癌和宫颈癌治疗中的潜在作用。已公布的这些植物的细胞毒性数据主要基于体外研究,很少进行分子水平和机理研究。这 16 种植物的乐观结果为天然产物化学和该属植物的抗癌潜力开辟了尚未开发的前景。
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引用次数: 0
ESTABLISHMENT AND AUTHENTICATION OF A UV SPECTROPHOTOMETRIC APPROACH FOR MEASURING EMBELIN CONTENT IN BULK AND FORMULATED SAMPLE 建立和验证紫外分光光度法测量散装和配制样品中的栓皮素含量
Q4 Pharmacology, Toxicology and Pharmaceutics Pub Date : 2024-02-28 DOI: 10.53879/id.61.02.14489
Kritika R. Saboo, Rohit R. Ghadge, Dhanashree P. Sanap, Sneha A. Agrawal
A UV-spectrophotometric method for the estimation of embelin isolated from Embelia ribes berries as per ICH guidelines Q2 (R1) was developed. It is simple, quick, accurate, and affordable. The wavelength of embelin was found to be 294.3 nm; and was linear in the concentration range 2-12 μg mL-1 with 0.997 correlation coefficient. The method was applied to pharmaceutical formulation and the drug estimated was found to be 97.99 % and was in good agreement with the label claim. The accuracy of the method was performed at three different levels, between 80 to 120 %; with % recovery obtained 98.54 - 99.98 %. The low values of % RSD indicate that the method is accurate and reproducible. Interday, intraday variations, and repeatability were studied as precision parameters. A lower % RSD value than 2 indicates the developed method is precise. Ruggedness of the proposed method was studied with the aid of two analysts.
根据 ICH 准则 Q2 (R1),开发了一种紫外分光光度法,用于估算从瑞木果中分离出的栓皮苷。该方法简单、快速、准确且经济实惠。栓皮苷的波长为 294.3 nm,在 2-12 μg mL-1 浓度范围内呈线性关系,相关系数为 0.997。将该方法应用于药物制剂中,发现药物的估计值为 97.99%,与标签说明相符。该方法的准确度在 80% 至 120% 之间的三个不同水平上进行了测定,回收率为 98.54% 至 99.98%。较低的 RSD%值表明该方法准确且可重复。精确度参数包括日间变化、日内变化和重复性。RSD % 值低于 2 表明所开发的方法是精确的。在两名分析师的协助下,对所建议方法的耐用性进行了研究。
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引用次数: 0
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INDIAN DRUGS
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