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Black Fungus: Pandemic Devastating India? 黑木耳:瘟疫肆虐印度?
Pub Date : 2022-04-30 DOI: 10.37285/ijpsn.2022.15.2.9
Biswajeet Acharya, P. K. Sahu, G. Pattnaik, A. Behera, Santosh Kumar Ranajit, Dinesh Kumar Sharma, A. Meher
Black fungus is the latest threat to the patients who just recovered from the covid-19. Black fungus is a type of mucormycosis infection, predominantly seen in patients with co-morbidities, mainly diabetes, cancer, immunocompromised infections, and organ transplant. Rising black fungus cases are not only a major aesthetic problem disrupting the medical and socioeconomic system, but it also senses another upcoming pandemic in India. Black fungus has a clinical appearance that is indistinguishable from other common illnesses at first, and it is invariably deadly unless diagnosed early or untreated vigorously. Rapid and precise diagnostic procedures, as well as the availability of less toxic, more effective antifungal drugs like posaconazole and isavuconazole, should be pursued as targets for improved black fungus care. The liposomal Amphotericin B had brought new rays of hope for treating black fungus by providing better efficacy amongst people. Since there is a dearth of literature regarding the management of black fungus patients, the article focused on the incidences, prevalence, diagnosis, and treatment protocol, to gain insight into the extent of this epidemic in India in 2021.
黑木耳是对刚刚从covid-19中恢复过来的患者的最新威胁。黑木耳是一种毛霉菌病感染,主要见于合并症患者,主要是糖尿病、癌症、免疫功能低下感染和器官移植。不断上升的黑木耳病例不仅是一个扰乱医疗和社会经济体系的重大美学问题,而且还预示着印度即将发生的另一场大流行。黑木耳的临床表现与其他常见疾病难以区分,除非及早诊断或积极治疗,否则它总是致命的。快速和精确的诊断程序,以及获得毒性更小、更有效的抗真菌药物,如泊沙康唑和异戊康唑,应作为改进黑真菌护理的目标。两性霉素B脂质体为黑木耳的治疗带来了新的希望,为人们提供了更好的治疗效果。由于缺乏关于黑木耳患者管理的文献,本文将重点放在发病率、流行率、诊断和治疗方案上,以深入了解2021年印度黑木耳疫情的程度。
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引用次数: 0
Development and Characterization of topical microemulsion as novel drug delivery system for Dapsone 氨苯砜外用微乳剂的研制与表征
Pub Date : 2022-02-28 DOI: 10.37285/ijpsn.2022.15.1.8
Anjali Bedse, Ajinath Nikam, Aditi Kulkarni, V. Potnis, S. Dhamane
Dapsone is a Biopharmaceutical Classification System class II drug with anti inflammatory, immunosuppressive, antibacterial, and antibiotic properties and is  used as an antileprotic. The purpose of the present study was to investigate the  potential of a microemulsion formulation for topical delivery of dapsone to enhance  permeation and to avoid systemic side effects. When administered orally, dapsone  undergoes hepatic metabolism. Its hepatic metabolite, dapsone hydroxylamine,  shows systemic side effects such as hemolytic anaemia peripheral neuropathy,  nausea, and headache. A novel drug delivery system in the form of a microemulsion  was developed for dapsone. This is the first attempt that dapsone has been  combined with chaulmoogra oil in a topical microemulsion. The primary drugs used  for the treatment of leprosy are found in chaulmoogra seeds. Considering its good  solubilizing capacity and its use in the treatment of leprosy, chaulmoogra oil was  chosen as the oil phase. Based on emulsification ability, Cremophor RH40 and PEG  400 were selected as surfactant and co-surfactant, respectively. A pseudo-ternary  phase diagram was constructed to identify the microemulsion region. Smix  (Cremophor RH40: PEG-400 in the ratio of 1:2) was most effective in imparting  stability to the formulation. The selected formulation exhibited appropriate  diffusion behavior (in vitro). The developed dapsone containing microemulsion  formulation exhibited the optimal homogeneity, clarity, pH, type of microemulsion,  viscosity, percent drug content, and percent transmittance to qualify as a topical  drug delivery system for local treatment of leprosy.  
氨苯砜是生物制药分类系统II类药物,具有抗炎、免疫抑制、抗菌和抗生素特性,并用作抗麻风药。本研究的目的是研究一种微乳剂制剂用于局部递送氨苯砜的潜力,以增强渗透并避免全身副作用。口服时,氨苯砜经历肝脏代谢。其肝脏代谢物氨苯砜羟胺有全身副作用,如溶血性贫血、周围神经病变、恶心和头痛。研制了一种新型的氨苯砜微乳剂给药系统。这是第一次将氨苯砜与黄芪油结合制成局部微乳剂。用于治疗麻风病的主要药物是在黄麻种子中发现的。考虑到其良好的增溶能力和在麻风病治疗中的应用,选择了沙麻油作为油相。根据乳化能力,选择Cremophor RH40和PEG 400分别作为表面活性剂和助表面活性剂。构造了伪三元相图来识别微乳区。Smix (cremoophor RH40: PEG-400,比例为1:2)对提高制剂的稳定性最有效。所选制剂具有良好的体外扩散行为。所开发的含氨苯砜微乳制剂具有最佳的均匀性、透明度、pH值、微乳类型、粘度、药物含量百分比和透光率,可作为局部治疗麻风病的局部给药系统。
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引用次数: 0
Guidelines for Nano pharmaceutical products for regulatory approval 纳米药品监管审批指南
Pub Date : 2022-02-28 DOI: 10.37285/ijpsn.2022.15.1.1
Bikash Medhi Bikash Medhi
Introduction The word 'nano' refers to a Greek prefix that means  'dwarf' or very little,' and represents a thousand  millionth of a meter (10-9) in length. Nanoscience and  nanotechnology are the study and application of  nanoscale range materials. Initially, the term  Nanotechnology was used by N. Taniguchi in 1974 at an  international conference on industrial production in  Tokyo to characterize the super-thin processing of  materials with nanometre accuracy and the fabrication of  nano-sized systems (Bayda S. et al., 2020). The usage of  nanomaterials has enhanced the application of  nanomedicine in various therapeutics area with  challenges and limitations over the last ten years.  Alteration of the physiochemical, biological, mechanical  & other properties of the materials made the  nanomaterials and it can be utilized in different useful  activities such as drug development, drug target.  Nanotechnology utilized novel nanomaterials to make  useful products. This technology has been used to  overcome the limitations & challenges in different drug  therapies. (Harea JI et al., 2017).   The combination of nanotechnology with  pharmaceuticals and biomedicals is termed nano  pharmaceutical. Nanopharmaceuticals is a new  technology in current practice. As a result, there are no  widely agreed nanopharmaceuticals guidelines. The  general idea of regulatory requirements for Active  Pharmaceutical Ingredients (API), as stated in the  CDSCO's New Drugs and Clinical Trial Rules 2019, was  mandatory in drug development pathways. These criteria  are also in line with the International Council for  Harmonization (ICH) recommendations and  international standards that other countries using such  items follow. New Drugs and Clinical Trials Rules, 2019  should be followed in different drug development. (Harea  JI et al., 2017).    Globally, there are important guidelines developed by  the United States Food & Drugs Administration  (USFDA), International Council for Harmonization  (ICH), or Organization for Economic Co-operation and  Development (OECD). (Harea JI et al., 2017).    Current regulatory approaches by US Food & Drug  Administration (FDA), established the nanotechnology  task force in August 2006. This regulatory approach  encourages the development of nanoproducts. FDA has  issued the guidelines in 2007 to the industry to address  the benefits & risks of Drugs, medical devices, and other  nanoproducts. FDA is also working with other U.S.  government agencies to focus on the safety & efficacy of  nanoproducts and U.S. initiates the National  Nanotechnology Initiative (NNI) which is a federal  research & development program to coordinate the effort  of all government agencies involved in nanotechnology.  The main goal of the NNI is to maintain the class of  research & development program, encourage inducing  the new technologies in the product, developing the supporting infrastructure & tools needed for  nanotechnology (Ventola et al., 2012). 
“纳米”一词来源于希腊语的前缀,意思是“矮小”或“非常小”,它代表了一米的十亿分之一(10-9)的长度。纳米科学和纳米技术是纳米尺度材料的研究和应用。最初,纳米技术一词是由N. Taniguchi于1974年在东京举行的工业生产国际会议上使用的,用于表征具有纳米精度的材料超薄加工和纳米级系统的制造(Bayda S. et al., 2020)。近十年来,纳米材料的使用促进了纳米医学在各个治疗领域的应用,但也面临着挑战和局限。纳米材料是通过改变材料的理化、生物、力学等特性而制成的,可用于药物开发、药物靶标等不同的有用活动。纳米技术利用新颖的纳米材料制造有用的产品。该技术已被用于克服各种药物治疗的局限性和挑战。(Harea JI et al., 2017)。纳米技术与药物和生物医学的结合被称为纳米制药。纳米药物是当前实践中的一项新技术。因此,目前还没有得到广泛认可的纳米药物指南。CDSCO《2019年新药和临床试验规则》中规定的活性药物成分(API)监管要求的总体思路在药物开发途径中是强制性的。这些标准也符合国际协调理事会(ICH)的建议以及其他使用此类物品的国家遵循的国际标准。《新药和临床试验规则》,2019年应遵循不同药物的开发。(Harea JI et al., 2017)。在全球范围内,美国食品和药物管理局(USFDA)、国际协调理事会(ICH)或经济合作与发展组织(OECD)制定了重要的指导方针。(Harea JI et al., 2017)。美国食品和药物管理局(FDA)在2006年8月建立了纳米技术工作组。这种监管方法鼓励了纳米产品的开发。FDA在2007年向业界发布了指导方针,以解决药物、医疗器械和其他纳米产品的利益和风险。FDA还与其他美国政府机构合作,重点关注纳米产品的安全性和有效性,美国发起了国家纳米技术倡议(NNI),这是一项联邦研究与开发计划,旨在协调所有涉及纳米技术的政府机构的努力。NNI的主要目标是维持研究和开发项目的等级,鼓励在产品中引入新技术,开发纳米技术所需的支持基础设施和工具(Ventola等人,2012)。
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引用次数: 0
A Review on nano-emulsion based gel formulations: emulgel, technology and recent advances 纳米乳液凝胶配方综述:乳液、技术及最新进展
Pub Date : 2022-02-28 DOI: 10.37285/ijpsn.2022.15.1.3
Prashant Gupta, D. Patel
Dermatological products are being used for treating skin infections and pain  /inflammation related disease from ancient times. The topical drug delivery  provides many advantages over the other routes of drug administration. Apart from  conventional dosage forms like creams, powders, lotions, gels, ointments,  researchers are exploring new modifications in the dosage form for improved drug  penetrations and enhanced pharmacodynamic activity of poorly absorbed drugs  from the skin. Existing topical formulations are associated with the problems like  stability, stickiness, irritation, lower spreadability, limited drug permeability and  absorption. Formulation of Nano-emulsion based gels (Emulgel) is proved to be  prominent approach for overcoming the barriers associated with the conventional  dosage forms. Emulgels are prepared by screening oils, surfactant and co-surfactant  on the basis of drug solubility. Nano-Emulsion is prepared using suitable techniques  and then embedded into the gel matrix for skin application. Drug present in the oil  portion in the micelles form (less than 500nm globule size) provides more area for  absorption thereby more penetration and therapeutic activity. Emulgel processes  desirable properties like greaseless, spreadability, emollient, non-staining, good  consistency and improved organoleptic characteristics. Permeations enhancers are  also explored for enhancing the penetration of drug incorporated in the Emulgel. 
皮肤病产品自古以来就被用于治疗皮肤感染和与疼痛/炎症相关的疾病。局部给药比其他给药途径有许多优点。除了霜、粉剂、乳液、凝胶、软膏等传统剂型外,研究人员正在探索剂型的新修改,以改善药物渗透,增强皮肤吸收不良药物的药效学活性。现有外用制剂存在稳定性、黏性、刺激性、涂抹性低、药物渗透性和吸收率有限等问题。纳米乳液基凝胶(乳凝胶)的配方被证明是克服与传统剂型相关的障碍的重要方法。根据药物溶解度对油、表面活性剂和助表面活性剂进行筛选制备乳状液。采用适当的技术制备纳米乳液,然后嵌入凝胶基质中用于皮肤应用。药物以胶束形式(小于500nm的小球大小)存在于油部分,为吸收提供了更大的面积,从而提供了更多的渗透和治疗活性。乳液具有无油、可涂抹、润肤、不染色、良好的一致性和改进的感官特性。还探讨了渗透增强剂,以增强纳入乳凝胶的药物的渗透。
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引用次数: 0
Impact of artificial intelligence in the pharmaceutical industry on working culture: Review 人工智能在制药行业对工作文化的影响:综述
Pub Date : 2022-02-28 DOI: 10.37285/ijpsn.2022.15.1.5
D. Devendra, Dr.Akash Singh Panwar Akash, Dr.Megha Verma, Pradeepgolani, Sanjay A Nagdev
The pharmaceutical and healthcare industries have benefited greatly from artificial  intelligence in recent years. A wide range of pharmaceutical fields, such as this novel  approach, showed potential in drug discovery, continuous manufacturing (CM),  dosage form design, and quality control. This article focuses on the use of artificial  intelligence in the pharmaceutical sector. Before all else, the film sheds light on how  AI will be implemented into health care, as well as its potential benefits. To  conclude, there are several hurdles to overcome in the project implementation. At  present, it's no secret that artificial intelligence (AI) and genetic algorithms (ANNs)  are becoming increasingly popular in the pharmaceutical industry. In the  pharmaceutical industry, artificial intelligence (AI) has shown promise, and it can be  used in combination with robotics. Physical robots could revolutionize the  healthcare industry. To keep their minds sharp and alert, it's used as a social  interaction guide with elderly patients. In the pharmaceutical industry, artificial  intelligence (AI) will help reduce costs and time.  
近年来,制药和医疗保健行业从人工智能中受益匪浅。这种新方法在药物发现、连续制造、剂型设计和质量控制等广泛的制药领域显示出潜力。本文重点介绍人工智能在制药领域的应用。在此之前,这部电影揭示了人工智能将如何应用于医疗保健领域,以及它的潜在好处。总之,在项目实施中有几个障碍需要克服。目前,人工智能(AI)和遗传算法(ann)在制药行业越来越受欢迎,这已经不是什么秘密。在制药行业,人工智能(AI)已经显示出前景,它可以与机器人技术结合使用。实体机器人可能会彻底改变医疗行业。为了保持他们的思维敏捷和警觉,它被用作老年患者的社交互动指南。在制药行业,人工智能(AI)将有助于降低成本和时间。
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引用次数: 0
Poly-Herbal Formulations: Current Status and Future Perspectives for Treatment of Various Complications 多草药制剂:治疗各种并发症的现状和未来展望
Pub Date : 2021-12-01 DOI: 10.37285/ijpsn.2021.14.6.1
K. V. Madhav, Aksa Maheen, Kiranmai Mandhava
In customary medication, the greater part of infections has been treated by reveling of plant or plant items. As indicated by the Ayurveda individual herbs are deficient to accomplish an ideal restorative impact. To conquer this issue numerous spice structure in certain proportion is utilized that will give a superior restorative impact in better manner with decreased harmfulness. To grow such mediation, current examination will address about polyherbal formulation uses and its outline in treatment of different diseases and ailments. Home grown medications have existed worldwide since long time ago, therefore they bear history, and they were utilized in Chinese, Egyptian and Indian medications for different treatment. This review primarily centers around significance of polyherbal and its clinical importance. 
在传统的药物治疗中,大部分感染都是通过植物或植物物品来治疗的。正如阿育吠陀所指出的那样,单个草药缺乏实现理想的恢复影响。为了解决这个问题,使用了一定比例的香料结构,这将以更好的方式提供更好的修复效果,同时减少危害。为了发展这样的调解,目前的检查将讨论多草药配方的用途及其在治疗不同疾病和小病中的概述。本土药物在世界范围内早已存在,因此它们具有悠久的历史,并且它们被用于中国,埃及和印度的药物中以进行不同的治疗。本文主要围绕中药的意义及其临床意义进行综述。
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引用次数: 0
Antitumor Efficacy of Silver Nanoparticles Biosynthe-sized from Marine Red Seaweed Halymenia porphyroides Boergesen on Dalton’s Lymphoma Ascites in Mice 生物合成纳米银纳米藻对小鼠道尔顿淋巴瘤腹水的抗肿瘤作用
Pub Date : 2021-12-01 DOI: 10.37285/ijpsn.2021.14.6.5
V. Manam, S. Murugesan
The biosynthesized silver nanoparticles from marine red seaweed Halymenia porphyroides against Dalton’s lymphoma ascites (DLA)-induced tumor inoculation was studied for antitumor activity. The biosynthesized silver nanoparticles from marine red seaweed Halymenia porphyroides were given orally to Swiss albino mice (50 mg/kg/day) for 14 days showed a significant reduction in body weight, packed cell volume, andviable tumor cell count when compared to the mice of the DLA control group.The haematological parameters of the treatment group with biosynthesized silver nanoparticles also exhibited increased haemoglobin, RBCs, Platelets, and decreased WBCs compared to the DLA control group of mice. Similarly, the biochemical parameters like total cholesterol, aspartate amino-transferase (AST), alanine aminotransferase (ALT), triglycerides (TL), and alkaline phosphatase (ALP) of the treatment control group with biosynthesized silver nanoparticles reversed the parameters to normal levels compared to the DLA control group of mice. The antitumor efficacy of the biosynthesized silver nanoparticles from Halymenia porphyroides was confirmed based on the haematological, biochemical, life span, packed cell volume, cell count, and histopathological analysis. 
研究了以海紫菜(Halymenia porphyroides)为原料合成的纳米银纳米粒对道尔顿淋巴瘤腹水(DLA)诱导的肿瘤接种的抗肿瘤活性。从海紫菜(Halymenia porphyroides)中合成的银纳米颗粒(50 mg/kg/天)口服给瑞士白化小鼠14天,与DLA对照组小鼠相比,体重、堆积细胞体积和活肿瘤细胞计数均显著减少。与DLA对照组相比,生物合成银纳米颗粒治疗组的血液学参数也显示血红蛋白、红细胞、血小板增加,白细胞减少。同样,与DLA对照组相比,生物合成银纳米颗粒治疗组的总胆固醇、天冬氨酸转氨酶(AST)、丙氨酸转氨酶(ALT)、甘油三酯(TL)和碱性磷酸酶(ALP)等生化参数均恢复到正常水平。通过血液学、生化、寿命、堆积细胞体积、细胞计数和组织病理学分析,证实了卟啉藻生物合成纳米银的抗肿瘤作用。
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引用次数: 0
Nanoliposomal Topical Formulation for Increasing Safety and Combating Microbial Drug Resistance in Leprosy 纳米脂质体局部配方提高麻风病的安全性和对抗微生物耐药性
Pub Date : 2021-12-01 DOI: 10.37285/ijpsn.2021.14.6.7
Deep Patel, Deepa H. Patel, D. Talele
Nanoliposomes were prepared using solvent injection method and topical spray using simple dispersion method. The particle size and % Entrapment Efficiency were found 18.01 ± 0.21 nm and 87.71 ± 0.12% respectively. TEM studies showed that the particles were in spherical shape. Drying time, volume per spray, area of film and dose uniformity were found to be 280 ± 0.002 sec, 0.16± 0.021 ml, 155.57 ± 0.012 cm2 and 0.15± 0.0012 ml respectively which showed good spraying conditions on the affected area. Stability study shows that dapsone and chaulmoogra oil loaded nanoliposomal topical spray was stable at accelerated condition up to 1 month. The present investigation provides a safe approach by improving the outer membrane permeability to combat microbial drug resistance and increasing safety in leprosy treatment. 
采用溶剂注射法制备纳米脂质体,采用简单分散法局部喷雾法制备纳米脂质体。粒径为18.01±0.21 nm,捕集效率为87.71±0.12%。透射电镜研究表明,颗粒呈球形。干燥时间为280±0.002秒,单喷雾体积为0.16±0.021 ml,成膜面积为155.57±0.012 cm2,剂量均匀性为0.15±0.0012 ml,对患处有良好的喷涂条件。稳定性研究表明,载药纳米脂质体喷雾剂在加速状态下稳定性可达1个月。本研究提供了一种安全的方法,通过提高外膜通透性来对抗微生物耐药性,提高麻风病治疗的安全性。
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引用次数: 0
Design and Evaluation of Efavirenz Loaded Solid Lipid Nanoparticle for Boosting Oral Bioavailability 载依非韦伦固体脂质纳米粒提高口服生物利用度的设计与评价
Pub Date : 2021-12-01 DOI: 10.37285/ijpsn.2021.14.6.8
Harshita Gupta, Ashish K. Srivastava
Present work illustrates that efavirenz-loaded solid lipid nanoparticles were prepared with the objective of increasing bioavailability and protection of drugs due to biocompatible lipidic content. Efavirenz is generally used for the treatment of HIV. Selection of the suitable lipid phase, surfactant, and cosurfactant was done by individual screening method with the construction of pseudo-ternary phase study. The formulations were prepared by the microemulsion method followed by the lyophilization technique. EFV-SLN has shown a mean particle size of 55.73 ± 3.9 nm having a PDI of 0.153 ± 0.451. Zeta potential was found to be -9.98mV and the formulation was found stable. In vivo pharmaco-kinetic studies exhibited 5.41-fold enhancement in peak plasma concentration (
目前的研究表明,负载依非韦伦的固体脂质纳米颗粒的制备是为了提高生物利用度和保护药物,因为生物相容性脂质含量。依非韦伦通常用于治疗艾滋病毒。通过个体筛选法选择合适的脂相、表面活性剂和助表面活性剂,并进行拟三元相构建研究。采用微乳法和冻干法制备了该制剂。EFV-SLN的平均粒径为55.73±3.9 nm, PDI为0.153±0.451。Zeta电位为-9.98mV,配方稳定。体内药物动力学研究显示血药浓度峰值提高5.41倍(
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引用次数: 0
In Silico Studies of Bioactive Compounds from Hibiscus rosa-sinensis Against HER2 and ESR1 for Breast Cancer Treatment 紫花芙蓉抗HER2和ESR1治疗乳腺癌活性化合物的硅片研究
Pub Date : 2021-12-01 DOI: 10.37285/ijpsn.2021.14.6.3
K. Agrawal, Y. Murti, Jyoti, N. Agrawal, Tripanshu Gupta
The most common type of cancer and the second biggest cause of death is breast cancer. The disease is the leading cause of death in women aged 45 to 55. It's a multi-stage disease in which viruses have a role in one stage. Breast cancer is an illness that affects the sufferer, their family, and the entire community all over the world. Breast cancer has no established cause, however specific risk factors have been found. Age, race, gender, and family history are all fixed and immutable characteristics. Other elements, such as social and familial support, can help to mitigate the harmful effects.The aim of the present study was to investigate the bioactive ligand for the breast cancer treatment against the HER2 and ESR1 proteins by molecular docking studies. HER2 is an oncogene and membrane tyrosine kinase that is overexpressed and gene amplified in about 20% of breast tumours. When active, it sends proliferative and anti-apoptotic signals to the cell. It is the most important factor in the genesis and progression of breast cancer tumours. To carry out this work protein structures were download from the PDB database and ligands three dimensional structures were downloaded from the PubChem database. The docking was performed by using the iGEMDOCK software suit. The binding energies of bioactive molecules from Hibiscus rosa-sinensis were found to be Rutin (-139.779, -102.743), Quercetin (-106.5, -99.7807), Kaempferol (-105.824, -92.5271), Myricetin         (-111.913, -99.603) and Methotrexate (-140.69, -130.165) against HER2 and ESR1 proteins respectively. Lowest energy of Rutin compared to Methotrexate showed highest binding among the other bioactive molecules.The binding energies of the molecules are the sum of hydrogen bond, vanderwaal’s and electrostatic energies that inversely linked to protein-ligand interaction. From the result of the current study we can conclude that among the four bioactive molecule rutin has lowest binding energy so it could be used as an inhibitor of HER2 and ESR1 protein for the treatment of breast carcinoma in future. 
最常见的癌症类型和第二大死亡原因是乳腺癌。该疾病是45至55岁妇女死亡的主要原因。这是一种多阶段的疾病,病毒在其中一个阶段发挥作用。乳腺癌是一种影响到患者、他们的家庭以及全世界整个社区的疾病。乳腺癌没有确定的病因,但是已经发现了特定的危险因素。年龄、种族、性别和家族史都是固定不变的特征。其他因素,如社会和家庭支持,可以帮助减轻有害影响。本研究的目的是通过分子对接研究探讨乳腺癌治疗中HER2和ESR1蛋白的生物活性配体。HER2是一种癌基因和膜酪氨酸激酶,在约20%的乳腺肿瘤中过度表达和基因扩增。当激活时,它向细胞发送增殖和抗凋亡信号。它是乳腺癌肿瘤发生和发展的最重要因素。为了开展这项工作,从PDB数据库下载蛋白质结构,从PubChem数据库下载配体三维结构。利用iGEMDOCK软件进行对接。结果表明,芙蓉生物活性分子对HER2和ESR1蛋白的结合能分别为芦丁(-139.779,-102.743)、槲皮素(-106.5,-99.7807)、山奈酚(-105.824,-92.5271)、杨梅素(-111.913,-99.603)和甲氨蝶呤(-140.69,-130.165)。与甲氨蝶呤相比,芦丁的最低能量与其他生物活性分子的结合最高。分子的结合能是与蛋白质-配体相互作用成反比的氢键能、范德瓦尔能和静电能的总和。从目前的研究结果我们可以得出结论,在四种生物活性分子中,芦丁的结合能最低,将来可以作为HER2和ESR1蛋白的抑制剂用于乳腺癌的治疗。
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引用次数: 1
期刊
International Journal of Pharmaceutical Sciences and Nanotechnology
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