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Dermaceutical Utilization of Nigella sativa Seeds: Applications and Opportunities. 黑草种子的药用价值:应用与机遇。
IF 2.2 Q3 PHARMACOLOGY & PHARMACY Pub Date : 2024-01-01 Epub Date: 2023-11-28 DOI: 10.1055/a-2196-1815
Mariyam Khatoon, Poonam Kushwaha, Shazia Usmani, Kumud Madan

Skin diseases have recently become a major concern among people of all ages due to their highly visible symptoms and persistent and difficult treatment, which significantly impact their quality of life. Nigella sativa seeds, also known as "black seeds" or "kalonji," are one of the most commonly used herbal medicines due to their wide range of biological and pharmacological activities. It contains a wide range of bioactive constituents found in both fixed and essential oils. It has been used for hundreds of years as an alternative ethnomedicine to treat a wide range of skin conditions. N. sativa's dermatological applications in skin diseases are attributed to its potent antioxidant, anti-inflammatory, antimicrobial, and immunomodulatory properties, making it an intriguing skincare candidate. Several studies unravelled positive results associated with N. sativa on skin diseases. As N. sativa is the most studied medicinal plant, several preclinical and clinical studies have been conducted to establish its use in the treatment of various skin diseases. Thymoquinone has anti-inflammatory, antioxidant, and antibacterial properties, which mainly contributed to the treatment of skin diseases. In this context, the present review explores all the available studies on the association of N. sativa and its effect on treating skin diseases in light of recent studies and patents supporting its therapeutic applications.

由于皮肤疾病的症状非常明显,治疗持续困难,严重影响其生活质量,因此最近已成为所有年龄段人群关注的主要问题。Nigella sativa种子,也被称为“黑籽”或“kalonji”,由于其广泛的生物和药理活性,是最常用的草药之一。它含有在固定油和精油中发现的广泛的生物活性成分。数百年来,它一直被用作一种替代民族药物,用于治疗各种皮肤状况。向日葵在皮肤疾病中的应用是由于其有效的抗氧化、抗炎、抗菌和免疫调节特性,使其成为一个有趣的护肤候选者。几项研究揭示了油菜对皮肤病的积极作用。由于sativa是被研究最多的药用植物,一些临床前和临床研究已经建立了它在治疗各种皮肤疾病中的应用。百里醌具有抗炎、抗氧化和抗菌的特性,主要用于治疗皮肤病。在此背景下,本文根据最近的研究和支持其治疗应用的专利,综述了所有关于芥蓝及其治疗皮肤病作用的现有研究。
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引用次数: 0
Quality by Design in Pharmaceuticals: A Review of its Impact on Regulatory Compliance and Product Quality. 药品设计质量:回顾其对监管合规性和产品质量的影响。
IF 2.2 Q3 PHARMACOLOGY & PHARMACY Pub Date : 2024-01-01 Epub Date: 2023-12-22 DOI: 10.1055/a-2185-4916
Raja Shekhar Nunavath, Madhu Tanya Singh, Anubha Jain, Marjita Chakma, Rajaguru Arivuselvam, Mohamed Sheik Tharik Abdul Azeeze

The pharmaceutical industry has embraced the quality-by-design (QbD) approach as a promising development, formulation and manufacturing strategy. QbD provides a systematic and science-based framework for designing and producing high-quality products, with a particular focus on identifying, assessing and controlling risks throughout the development process. This review aims to assess the benefits of implementing QbD in pharmaceutical processes, evaluate its impact on regulatory compliance and explore its potential to enhance drug product quality. The primary objective of this review is to evaluate the influence of QbD on pharmaceutical development and manufacturing processes. It also seeks to examine the regulatory requirements associated with the implementation of QbD and highlight the advantages of this approach in terms of product quality and cost-effectiveness. Additionally, the review aims to explore the potential of QbD in improving the safety and efficacy of drug products. The QbD approach holds tremendous potential to revolutionize the pharmaceutical industry by optimizing drug development & manufacturing processes, reducing costs and enhancing product quality and consistency. However, implementing QbD requires a comprehensive understanding of the underlying science, as well as strict adherence to regulatory requirements in drug development and manufacturing. In conclusion, by embracing the QbD approach, the pharmaceutical industry can ensure the production of safe, effective and regulation-compliant products while simultaneously improving process efficiency. This strategic shift toward QbD represents a pivotal step in advancing pharmaceutical research and manufacturing capabilities, ultimately benefiting both the industry and more importantly, patients worldwide.

制药业已将质量源于设计(QbD)方法作为一种前景广阔的开发、配制和生产战略。QbD 为设计和生产高质量产品提供了一个以科学为基础的系统框架,尤其注重在整个开发过程中识别、评估和控制风险。本综述旨在评估在制药过程中实施 QbD 的益处,评价其对合规性的影响,并探讨其提高药品质量的潜力。本综述的主要目的是评估 QbD 对药品开发和生产流程的影响。它还试图研究与实施 QbD 相关的法规要求,并强调这种方法在产品质量和成本效益方面的优势。此外,本综述还旨在探讨 QbD 在提高药品安全性和有效性方面的潜力。QbD 方法具有巨大的潜力,可以通过优化药物开发和生产流程、降低成本、提高产品质量和一致性来彻底改变制药行业。然而,实施 QbD 需要对基础科学有全面的了解,并严格遵守药品开发和生产的监管要求。总之,通过采用 QbD 方法,制药业可以确保生产出安全、有效、符合法规要求的产品,同时提高工艺效率。这种向 QbD 的战略转变是推进制药研究和制造能力的关键一步,最终将造福于制药业,更重要的是造福于全世界的患者。
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引用次数: 0
Inotodiol ameliorates the progression of osteoarthritis: An in vitro and in vivo study. 肌醇改善骨关节炎的进展:一项体外和体内研究。
IF 2.2 Q3 PHARMACOLOGY & PHARMACY Pub Date : 2023-11-01 Epub Date: 2023-11-07 DOI: 10.1055/a-2176-4098
Wanfeng Qian, Ruheng Ji, Qiujie Ye, Wenjun Hu, Linying Zhou, Hongwu Pan, Xiaoming Li

Osteoarthritis is a common chronic degenerative disease, of which the essence is the degenerative changes of bone and joint cartilage, involving damage in multiple structures such as bone, synovium and joints. In the mechanism of arthritis inflammation is closely related, and therefore the exploration to inhibit inflammatory mediators is crucial for the clinical prevention and treatment of osteoarthritis. Inotodiol is a lanostane triterpenoid isolated from Inonotus obliquus, which had been extensively reported to be an anti-inflammatory agent, but its effect on arthritis remains unknown. In this study, we firstly demonstrated that inotodiol significantly reduced IL-1β-induced chondrocyte injury and inhibited the release of inflammatory factors. At the same time, experiments in vivo showed that inotodiol could effectively improve the symptoms of joint injury in mice and reduce the area of cartilage destruction, indicating that inotodiol may be a potential therapeutic drug for osteoarthritis.

骨关节炎是一种常见的慢性退行性疾病,其本质是骨和关节软骨的退行性变化,涉及骨、滑膜和关节等多个结构的损伤。在关节炎的发病机制中,炎症是密切相关的,因此探索抑制炎症介质对骨关节炎的临床防治至关重要。肌苷醇是从斜孔菌中分离出的羊毛甾烷三萜,已被广泛报道为抗炎剂,但其对关节炎的影响尚不清楚。在本研究中,我们首次证明了inotodiol显著减少了IL-1β诱导的软骨细胞损伤,并抑制了炎症因子的释放。同时,体内实验表明,inotodiol可以有效改善小鼠关节损伤症状,减少软骨破坏面积,表明inotodil可能是治疗骨关节炎的潜在药物。
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引用次数: 0
Repurposing Drugs: An Empowering Approach to Drug Discovery and Development. 重新利用药物:药物发现和开发的授权方法。
IF 2.2 Q3 PHARMACOLOGY & PHARMACY Pub Date : 2023-11-01 Epub Date: 2023-07-21 DOI: 10.1055/a-2095-0826
Sahil Kumar, Vandana Roy

Drug discovery and development is a time-consuming and costly procedure that necessitates a substantial effort. Drug repurposing has been suggested as a method for developing medicines that takes less time than developing brand new medications and will be less expensive. Also known as drug repositioning or re-profiling, this strategy has been in use from the time of serendipitous drug discoveries to the modern computer aided drug designing and use of computational chemistry. In the light of the COVID-19 pandemic too, drug repurposing emerged as a ray of hope in the dearth of available medicines. Data availability by electronic recording, libraries, and improvements in computational techniques offer a vital substrate for systemic evaluation of repurposing candidates. In the not-too-distant future, it could be possible to create a global research archive for us to access, thus accelerating the process of drug development and repurposing. This review aims to present the evolution, benefits and drawbacks including current approaches, key players and the legal and regulatory hurdles in the field of drug repurposing. The vast quantities of available data secured in multiple drug databases, assisting in drug repurposing is also discussed.

药物发现和开发是一个耗时且成本高昂的过程,需要付出大量努力。药物再利用被认为是一种开发药物的方法,这种方法比开发全新药物花费的时间更短,而且成本更低。这种策略也被称为药物重新定位或重新分析,从偶然发现药物到现代计算机辅助药物设计和计算化学的使用,这种策略一直在使用。在新冠肺炎大流行的背景下,药物再利用也成为可用药物短缺的一线希望。通过电子记录、图书馆和计算技术的改进提供的数据可用性为重新调整候选人用途的系统评估提供了重要的基础。在不久的将来,有可能创建一个全球研究档案供我们访问,从而加快药物开发和重新利用的进程。本综述旨在介绍药物再利用领域的演变、优点和缺点,包括当前的方法、关键参与者以及法律和监管障碍。还讨论了在多个药物数据库中保护的大量可用数据,以帮助药物重新利用。
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引用次数: 1
A Review of PARP-1 Inhibitors: Assessing Emerging Prospects and Tailoring Therapeutic Strategies. PARP-1抑制剂综述:评估新出现的前景和量身定制的治疗策略。
IF 2.2 Q3 PHARMACOLOGY & PHARMACY Pub Date : 2023-11-01 Epub Date: 2023-10-27 DOI: 10.1055/a-2181-0813
Soundarya Ramesh, Shannon D Almeida, Sameerana Hammigi, Govardan Katta Radhakrishna, Golla Sireesha, Theivendren Panneerselvam, Shangavi Vellingiri, Selvaraj Kunjiappan, Damodar Nayak Ammunje, Parasuraman Pavadai

Eukaryotic organisms contain an enzyme family called poly (ADP-ribose) polymerases (PARPs), which is responsible for the poly (ADP-ribosylation) of DNA-binding proteins. PARPs are members of the cell signaling enzyme class. PARP-1, the most common isoform of the PARP family, is responsible for more than 90% of the tasks carried out by the PARP family as a whole. A superfamily consisting of 18 PARPs has been found. In order to synthesize polymers of ADP-ribose (PAR) and nicotinamide, the DNA damage nick monitor PARP-1 requires NAD+ as a substrate. The capability of PARP-1 activation to boost the transcription of proinflammatory genes, its ability to deplete cellular energy pools, which leads to cell malfunction and necrosis, and its involvement as a component in the process of DNA repair are the three consequences of PARP-1 activation that are of particular significance in the process of developing new drugs. As a result, the pharmacological reduction of PARP-1 may result in an increase in the cytotoxicity toward cancer cells.

真核生物含有一个称为聚ADP核糖聚合酶(PARPs)的酶家族,负责DNA结合蛋白的聚ADP核糖基化。PARP是细胞信号酶类的成员。PARP-1是PARP家族中最常见的亚型,负责整个PARP家族90%以上的任务。已经发现了一个由18个PARP组成的超家族。为了合成ADP-核糖(标准杆数)和烟酰胺的聚合物,DNA损伤缺口监测仪PARP-1需要NAD+作为底物。PARP-1激活促进促炎基因转录的能力,其消耗细胞能量库的能力,从而导致细胞功能障碍和坏死,以及其作为DNA修复过程中的一个组成部分的参与,是PARP-1激活的三个后果,在开发新药的过程中具有特别重要的意义。结果,PARP-1的药理学减少可能导致对癌症细胞的细胞毒性增加。
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引用次数: 0
Diuretic, Natriuretic, And Ca2+-Sparing Effect Of The Alkaloid Boldine In Rats. 生物碱Boldine对大鼠的利尿、利钠素和Ca2+的抑制作用。
IF 2.2 Q3 PHARMACOLOGY & PHARMACY Pub Date : 2023-11-01 Epub Date: 2023-11-07 DOI: 10.1055/a-2182-3665
Viviane Miranda Bispo Steimbach, Ritade Cássia Vilhena da Silva, Luísa Nathália Bolda Mariano, Mariana Zanovello, Anelise Felício Macarini, Luisa Mota da Silva, Priscila de Souza

Background: Previous studies indicate the renal vasodilating effects of boldine, an alkaloid found in Peumus boldus. However, its potential to induce diuresis still needs to be studied.

Methods: Wistar rats were used and the urine volume was noted for 8 h and further studied.

Results: The acute treatment at 0.1 and 0.3 mg/kg of boldine showed a diuretic, natriuretic, and Ca2+-sparing effect in rats without changing the urinary elimination of K+and Cl-. When boldine was given in combination with hydrochlorothiazide, there was an increase in urinary volume compared to the vehicle group. However, this was not different from the treatments in its isolated form. Urine Ca2+values ​​remained low but were not enhanced by this association. The excretion of Na+and Cl- was significantly increased compared to the group that received only vehicle or boldine. On the other hand, although the association of amiloride plus boldine did not result in a diuretic effect, the increase in Na+and the reduction in K+excretion were significantly potentiated. Furthermore, in the presence of the non-selective muscarinic receptor antagonist atropine, boldine showed reduced capacity to increase urinary volume, maintaining the natriuretic and Ca2+-sparing effect, besides a very evident K+-sparing action. Similar results were obtained in the presence of the non-selective cyclooxygenase inhibitor indomethacin. Furthermore, boldine showed an ex vivo antiurolithiasis activity, reducing calcium oxalate's precipitation and crystallization.

Conclusions: This study reveals the diuretic, natriuretic, Ca2+-sparing, and antiurolithiatic effects of boldine, an action possibly related to muscarinic receptor activation and prostanoid generation.

背景:先前的研究表明,在白头翁中发现的生物碱博尔丁具有肾血管舒张作用。然而,其诱导利尿的潜力仍有待研究。方法:采用Wistar大鼠,记录8只大鼠的尿量 h,并进一步研究。结果:急性治疗在0.1和0.3 mg/kg的博丁在大鼠中显示出利尿、利钠素和Ca2+保留作用,而不改变尿中K+和Cl-的清除。当博丁与氢氯噻嗪联合用药时,与溶媒组相比,尿量增加。然而,这与分离形式的治疗没有什么不同​​仍然很低,但没有因这种关联而增强。与仅接受赋形剂或boldine的组相比,Na+和Cl-的排泄显著增加。另一方面,尽管阿米洛利和博丁的联合作用没有产生利尿作用,但Na+的增加和K+排泄的减少显著增强。此外,在非选择性毒蕈碱受体拮抗剂阿托品存在的情况下,除了非常明显的K+保留作用外,boldine显示出增加尿量的能力降低,维持了钠尿和Ca2+保留作用。在非选择性环氧合酶抑制剂吲哚美辛的存在下也获得了类似的结果。此外,boldine具有体外抗尿石活性,减少草酸钙的沉淀和结晶。结论:本研究揭示了博丁的利尿、利钠素、Ca2+保留和抗尿锂作用,其作用可能与毒蕈碱受体激活和前列腺素生成有关。
{"title":"Diuretic, Natriuretic, And Ca2+-Sparing Effect Of The Alkaloid Boldine In Rats.","authors":"Viviane Miranda Bispo Steimbach, Ritade Cássia Vilhena da Silva, Luísa Nathália Bolda Mariano, Mariana Zanovello, Anelise Felício Macarini, Luisa Mota da Silva, Priscila de Souza","doi":"10.1055/a-2182-3665","DOIUrl":"10.1055/a-2182-3665","url":null,"abstract":"<p><strong>Background: </strong>Previous studies indicate the renal vasodilating effects of boldine, an alkaloid found in <i>Peumus boldus</i>. However, its potential to induce diuresis still needs to be studied.</p><p><strong>Methods: </strong>Wistar rats were used and the urine volume was noted for 8 h and further studied.</p><p><strong>Results: </strong>The acute treatment at 0.1 and 0.3 mg/kg of boldine showed a diuretic, natriuretic, and Ca<sup>2+</sup>-sparing effect in rats without changing the urinary elimination of K<sup>+</sup>and Cl<sup>-</sup>. When boldine was given in combination with hydrochlorothiazide, there was an increase in urinary volume compared to the vehicle group. However, this was not different from the treatments in its isolated form. Urine Ca<sup>2+</sup>values ​​remained low but were not enhanced by this association. The excretion of Na<sup>+</sup>and Cl<sup>-</sup> was significantly increased compared to the group that received only vehicle or boldine. On the other hand, although the association of amiloride plus boldine did not result in a diuretic effect, the increase in Na<sup>+</sup>and the reduction in K<sup>+</sup>excretion were significantly potentiated. Furthermore, in the presence of the non-selective muscarinic receptor antagonist atropine, boldine showed reduced capacity to increase urinary volume, maintaining the natriuretic and Ca<sup>2+</sup>-sparing effect, besides a very evident K<sup>+</sup>-sparing action. Similar results were obtained in the presence of the non-selective cyclooxygenase inhibitor indomethacin. Furthermore, boldine showed an ex vivo antiurolithiasis activity, reducing calcium oxalate's precipitation and crystallization.</p><p><strong>Conclusions: </strong>This study reveals the diuretic, natriuretic, Ca<sup>2+</sup>-sparing, and antiurolithiatic effects of boldine, an action possibly related to muscarinic receptor activation and prostanoid generation.</p>","PeriodicalId":11451,"journal":{"name":"Drug Research","volume":"73 9","pages":"513-519"},"PeriodicalIF":2.2,"publicationDate":"2023-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"71479414","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
Effects of Resveratrol Co-Administration on Celecoxib Disposition and Pharmacokinetics in Healthy Volunteers. 白藜芦醇联合给药对健康志愿者塞来昔布处理和药代动力学的影响。
IF 2.2 Q3 PHARMACOLOGY & PHARMACY Pub Date : 2023-11-01 Epub Date: 2023-11-07 DOI: 10.1055/a-2160-2186
Nagwa I Helal, Noha M El-Khodary, Gamal A Omran, Soha M El-Masry

The objective of the current study was to investigate the effects of resveratrol (RSV), a natural herbal remedy used as an adjacent anti-inflammatory supplement on, the pharmacokinetics of celecoxib in healthy male volunteers. Twelve healthy human participants were involved in two-period open-labeled trial. Celecoxib (200 mg) was given as a single oral dose under fasting conditions as a control phase. Afterward, RSV (500 mg) commenced as a single oral dose for ten days as a treatment phase. Blood samples were collected during the control and treatment phases and analyzed using the validated High-performance liquid chromatography (HPLC) method. RSV pre-exposure significantly increased the area under the curve (AUC0-24), peak plasma concentration (Cmax), absorption rate constant (ka), and prolongated half-life (t1/2), along with a decrease in elimination rate constant (ke). Meanwhile, the volume of distribution (Vd/F) and apparent total body clearance (CL/F) were significantly decreased for celecoxib. There was no significant change in the time it takes for celecoxib to reach the maximum concentration (tmax) was observed. The obtained results suggested the presence of a beneficial pharmacokinetic interaction between RSV and celecoxib. Consequently, combining resveratrol as an herbal remedy and celecoxib as an anti-inflammatory drug may synergistically reduce inflammation and osteoarthritis with minimal side effects.

本研究的目的是研究白藜芦醇(RSV)(一种用作相邻抗炎补充剂的天然草药)对塞来昔布在健康男性志愿者中的药代动力学的影响。12名健康人参与了为期两个时期的开放标记试验。塞来昔布(200 mg)作为对照阶段在禁食条件下以单次口服剂量给予。之后,RSV(500 mg)以单次口服剂量开始,持续10天作为治疗阶段。在对照和治疗阶段采集血样,并使用经验证的高效液相色谱法(HPLC)进行分析。RSV预暴露显著增加了曲线下面积(AUC0-24)、峰值血浆浓度(Cmax)、吸收速率常数(ka)和延长半衰期(t1/2),同时消除速率常数(ke)降低。同时,塞来昔布的分布体积(Vd/F)和表观全身清除率(CL/F)显著降低。塞来昔布达到最大浓度(tmax)所需的时间没有显著变化。所获得的结果表明RSV和塞来昔布之间存在有益的药代动力学相互作用。因此,将白藜芦醇作为草药和塞来昔布作为抗炎药相结合,可以协同减少炎症和骨关节炎,副作用最小。
{"title":"Effects of Resveratrol Co-Administration on Celecoxib Disposition and Pharmacokinetics in Healthy Volunteers.","authors":"Nagwa I Helal, Noha M El-Khodary, Gamal A Omran, Soha M El-Masry","doi":"10.1055/a-2160-2186","DOIUrl":"10.1055/a-2160-2186","url":null,"abstract":"<p><p>The objective of the current study was to investigate the effects of resveratrol (RSV), a natural herbal remedy used as an adjacent anti-inflammatory supplement on, the pharmacokinetics of celecoxib in healthy male volunteers. Twelve healthy human participants were involved in two-period open-labeled trial. Celecoxib (200 mg) was given as a single oral dose under fasting conditions as a control phase. Afterward, RSV (500 mg) commenced as a single oral dose for ten days as a treatment phase. Blood samples were collected during the control and treatment phases and analyzed using the validated High-performance liquid chromatography (HPLC) method. RSV pre-exposure significantly increased the area under the curve (AUC<sub>0-24</sub>), peak plasma concentration (C<sub>max</sub>), absorption rate constant (ka), and prolongated half-life (t<sub>1/2</sub>), along with a decrease in elimination rate constant (ke). Meanwhile, the volume of distribution (Vd/F) and apparent total body clearance (CL/F) were significantly decreased for celecoxib. There was no significant change in the time it takes for celecoxib to reach the maximum concentration (t<sub>max</sub>) was observed. The obtained results suggested the presence of a beneficial pharmacokinetic interaction between RSV and celecoxib. Consequently, combining resveratrol as an herbal remedy and celecoxib as an anti-inflammatory drug may synergistically reduce inflammation and osteoarthritis with minimal side effects.</p>","PeriodicalId":11451,"journal":{"name":"Drug Research","volume":"73 9","pages":"520-527"},"PeriodicalIF":2.2,"publicationDate":"2023-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"71479415","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
GC-MS analysis and in silico docking of constituents of Cinnamomum malabatrum against CYP450 17α and CYP450 19 (Aromatase)- Key targets for hyperandrogenism. 麻辣肉桂成分对CYP450 17α和CYP450 19(芳香化酶)的GC-MS分析和计算机对接——高雄激素血症的关键靶点。
IF 2.2 Q3 PHARMACOLOGY & PHARMACY Pub Date : 2023-10-01 Epub Date: 2023-08-17 DOI: 10.1055/a-2142-5774
V Soumya, S Deepa, Knolin K Thachil, J Saravanan, R Hariprasad

Poly cystic ovary syndrome (PCOS) is considered as one of the common hormonal disorders affecting 6-20% of women in their reproductive age with characteristic features include anovulatory infertility, hyperandrogenism, cystic follicles and insulin resistance. The gene CYP play an important role in pathophysiology of hyperandrogenism associated with PCOS. An elevated androgens are reported in PCOS condition due to overexpression of the enzyme CYP450 17 α: . As well as diminished levels of aromatase (CYP450 19) were observed in several hyperandrogenic PCOS patients. The powdered leafy material of Cinnamomum malabatrum was subjected to Soxhlet extraction. The plant extract was subjected to Gas chromatography-MS analysis (GC-MS), and the chromatogram obtained revealed the presence of active chemical constituents like 1(10),9(11)-B-Homolanistadiene for the first time and other potential compounds. Hypothesis has raised to interpret the efficiency of phytoconstituents of Cinnamomum malabatrum on these enzyme targets and which may be a novel drug candidate for the treatment and maintenance of hyperandrogenism associated with PCOS. Thus, the results obtained from the in-silico study of Cinnamomum malabatrum leaf extract using computational approaches indicate that the phytoconstituents have good affinities for the selected two key targets. ADME and PASS studies has been performed for active phytoconstituents homolanistadiene, β-sitosterol, cycloartenol and a pyrazole derivative, and results revealed the Lipinski drug-likeness and pharmacological potential. In conclusion, this work throws a new insight into the possibility of the active phytoconstituents on binding the two active CYP45017 α and CYP45019 aromatase enzymes which facilitates development of novel compounds for hyperandrogenism associated with PCOS.

多囊卵巢综合征(PCOS)被认为是影响6-20%育龄妇女的常见激素疾病之一,其特征包括无排卵性不孕、高雄激素血症、囊性卵泡和胰岛素抵抗。CYP基因在多囊卵巢综合征相关高雄激素血症的病理生理学中起着重要作用。据报道,由于CYP450 17α:。在几个高雄激素性多囊卵巢综合征患者中观察到芳香化酶(CYP450 19)水平降低。用索氏提取法对麻辣肉桂的粉末状叶物质进行提取。对植物提取物进行气相色谱-质谱分析(GC-MS),获得的色谱图首次揭示了活性化学成分如1(10),9(11)-B-高羊毛烯二烯和其他潜在化合物的存在。提出了一种假说来解释马拉巴特兰植物成分对这些酶靶点的有效性,这可能是治疗和维持多囊卵巢综合征相关高雄激素血症的一种新的候选药物。因此,使用计算方法对马拉巴特姆肉桂叶提取物进行的计算机研究结果表明,这些植物成分对选定的两个关键靶标具有良好的亲和力。ADME和PASS对活性植物成分高羊毛甾二烯、β-谷甾醇、环戊烯醇和吡唑衍生物进行了研究,结果揭示了利平斯基的药物相似性和药理潜力。总之,这项工作为活性植物成分结合两种活性CYP45017α和CYP45019芳香化酶的可能性提供了新的见解,这有助于开发与多囊卵巢综合征相关的高雄激素血症的新化合物。
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引用次数: 0
In silico docking and Molecular Dynamic (MD) simulations studies of selected phytochemicals against Human Glycolate Oxidase (hGOX) and Oxalate oxidase (OxO). 所选植物化学物质对抗人乙醇酸氧化酶(hGOX)和草酸氧化酶(OxO)的计算机对接和分子动力学(MD)模拟研究。
IF 2.2 Q3 PHARMACOLOGY & PHARMACY Pub Date : 2023-10-01 Epub Date: 2023-07-24 DOI: 10.1055/a-2088-3889
Patnam Nageswari, K Swathi

Globally, Urolithiasis is the most prevalent urological problem which affects the populations across the ages and races. In recent years, several phytochemicals are being investigated to improve the efficacy and safety of anti-urolithiasis formulations. To develop drugs based on traditional medicines, it is essential to understand the molecular mechanism of action of these drugs. We present the results of in silico docking and molecular dynamic (MD) simulation studies on selected phytochemical including catechin, epicatechin, gallic acid, gallocatechin, epigallocatechin, epigallocatechin 3-o-gallate, 4-methoxy-nor-securine, nor-securinine, and fisetin with human glycolate oxidase (hGOX) and oxalate oxidase (OxO). Gallic acid, gallocatechin and fisetin showed better docking scores than the rest. In MD simulation analysis, stable interactions of the gallic acid with hGOX and OxO; gallocatechin and fisetin with hGOX were observed. It was found that, gallic acid stably interacts withTYR26, LYS 236, ARG 315, and ASP 291 residues of hGOX. On other hand, gallic acid stably interacs with GLU 58 residue of OxO. Gallocatechin, forms stable interactions with TYR 26, ASP 170, ARG 167 and THR 161 of HGOX. In MD simulations, fisetin stably interacted with TYR 26, TRP110 and ARG 263 as we predicted in molecular docking. None of the interactions was formed during the MD simulation of OxO with gallocatechin and fisetin. Together, these results suggest that gallic acid, gallocatechin and fisetin are the potential candidates for the development of phytochemicals for the management of urolithiasis in humans.

在全球范围内,泌尿系结石是最普遍的泌尿系统问题,影响着不同年龄和种族的人群。近年来,人们正在研究几种植物化学物质,以提高抗尿石制剂的疗效和安全性。要在传统药物的基础上开发药物,必须了解这些药物的分子作用机制。我们介绍了对所选植物化学物质的计算机对接和分子动力学(MD)模拟研究结果,包括儿茶素、表儿茶素、没食子酸、没食子儿茶素、儿茶素3-邻没食子酸酯、4-甲氧基-非-securine、nor securinin和非西汀与人乙醇酸氧化酶(hGOX)和草酸氧化酶(OxO)的对接和分子动态模拟研究。没食子酸、没食子儿茶素和非瑟汀的对接得分高于其他物质。在MD模拟分析中,没食子酸与hGOX和OxO的稳定相互作用;观察了没食子儿茶素和非瑟汀与hGOX的相互作用。研究发现,没食子酸与hGOX的TYR26、LYS236、ARG315和ASP291残基稳定地相互作用。另一方面,没食子酸与OxO的GLU 58残基稳定地相互作用。没食子儿茶素与HGOX的TYR26、ASP170、ARG167和THR161形成稳定的相互作用。在MD模拟中,如我们在分子对接中预测的那样,非瑟汀与TYR26、TRP110和ARG263稳定地相互作用。在OxO与没食子儿茶素和非瑟汀的MD模拟过程中,没有形成任何相互作用。总之,这些结果表明,没食子酸、没食子儿茶素和非瑟汀是开发用于治疗人类尿石症的植物化学物质的潜在候选者。
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引用次数: 0
Nitrosamine Impurities in Herbal Formulations: A Review of Risks and Mitigation Strategies. 草药配方中的亚硝胺杂质:风险和缓解策略综述。
IF 2.2 Q3 PHARMACOLOGY & PHARMACY Pub Date : 2023-10-01 Epub Date: 2023-07-24 DOI: 10.1055/a-2081-4232
Nunavath Raja Shekhar, Krishnaveni Nagappan, Madhu Tanya Singh, S P Dhanabal

Nitrosamines are a class of chemical compounds that have been found to be impurities in a variety of pharmaceutical products. These impurities have raised concerns due to their potential carcinogenic effects. Recent studies have identified nitrosamines as impurities in a number of pharmaceutical products including angiotensin II receptor blockers (ARBs) and proton pump inhibitors (PPIs). The presence of nitrosamines in these products has led to recalls and market withdrawals. In addition to pharmaceuticals, nitrosamines have also been found in some herbal medicines particularly those containing traditional Chinese medicinal ingredients. The presence of nitrosamines in herbal formulations poses a significant risk to public health and highlights the need for quality control and regulations in the herbal drug industry. The present review article aims to discuss nitrosamine impurities (NMI) prominent causes, risks and scientific strategies for preventing NMI in herbal formulations. The primary objective of this study is to examine the origins of nitrosamine contamination in herbal formulations, the risks associated with these contaminants, and the methods for reducing them. The significance of thorough testing and examination before releasing herbal products to the public is also emphasized. In conclusion, the presence of nitrosamines is not limited to pharmaceutical products and poses a significant threat to the safety of herbal drugs as well. Adequate testing and extensive research are crucial for producing and distributing herbal medicines to the general population.

亚硝胺是一类化合物,已被发现是各种药品中的杂质。这些杂质由于其潜在的致癌作用而引起了人们的关注。最近的研究已经确定亚硝胺是许多药物产品中的杂质,包括血管紧张素II受体阻滞剂(ARBs)和质子泵抑制剂(PPIs)。亚硝胺在这些产品中的存在已导致召回和市场退出。除了药物外,在一些草药中也发现了亚硝胺,特别是那些含有中药材成分的草药。草药配方中亚硝胺的存在对公众健康构成重大风险,并突出了草药行业质量控制和监管的必要性。本文旨在探讨亚硝胺杂质(NMI)在草药配方中的突出原因、风险和预防NMI的科学策略。本研究的主要目的是检查草药配方中亚硝胺污染的来源、与这些污染物相关的风险以及减少这些污染物的方法。还强调了在向公众发布草药产品之前进行彻底测试和检查的重要性。总之,亚硝胺的存在不仅限于医药产品,而且对草药的安全性也构成了重大威胁。充分的测试和广泛的研究对于生产草药并向普通人群分发草药至关重要。
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