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Pharmacophore最新文献

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Radiologist Assistant: Improving Patient Care While Providing Workforce Solutions in Saudi Arabia 放射科医生助理:在沙特阿拉伯提供劳动力解决方案的同时改善患者护理
IF 0.5 Pub Date : 2023-01-01 DOI: 10.51847/qwhtebcfzi
Y. Hadi, Abdulrahman Ibrahim Abu Aqil, Q. Alshammari
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引用次数: 0
A Review of the Role of Cognitive-Behavioral Therapy on Anxiety Disorders of Children and Adolescents 认知行为疗法在儿童青少年焦虑症治疗中的作用综述
Pub Date : 2023-01-01 DOI: 10.51847/lkulo5pb1t
Nicolae Dumitru Nicoară, Paula Marian, Alin Ovidiu Petriș, Cristian Delcea, Felicia Manole
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引用次数: 1
Exceptionally Long Survival with Lorlatinib in a Patient with Alk-Rearranged Lung 氯拉替尼治疗alk重排肺患者的超长生存期
Pub Date : 2023-01-01 DOI: 10.51847/n1yjzejnbd
Katarzyna Szklener, Karolina Nieoczym, Katarzyna Niedziela, Łukasz Światłowski, Sławomir Mańdziuk
Genetic abnormalities in the anaplastic lymphoma (ALK) kinase gene are present in 3-5% of Non-squamous Cell Lung Cancer (NSCLC) cases. ALK gene rearrangement plays a crucial role in determining the sensitivity of neoplastic cells to small molecule ALK tyrosine kinase inhibitors. However, some patients may develop resistance to ALK inhibitors over time, leading to disease progression. In such cases, it is important to perform genetic testing to identify any emerging mutations that may be responsible for resistance and to select the appropriate subsequent treatment. We provide a case of a 56-year-old patient with advanced NSCLC. The patient achieved an overall progression-free survival of 71 months, which highlights the potential benefits of using a sequence of ALK inhibitors in treating advanced ALK-rearranged lung adenocarcinoma. Overall, this case study highlights the importance of genetic profiling and personalized treatment in managing advanced NSCLC, and it offers hope for improved outcomes in patients
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引用次数: 0
Interdisciplinary Perspective of Laghumalini Vasant an Ayurvedic Formulation Towards Therapeutic Potential in Antenatal Care Laghumalini Vasant和阿育吠陀配方对产前护理治疗潜力的跨学科视角
IF 0.5 Pub Date : 2023-01-01 DOI: 10.51847/5fppjrfii5
A. Wanjari, B. Rathi, Dinesh Santoshrao Wanjari, Rohit Ajit Gokarn
{"title":"Interdisciplinary Perspective of Laghumalini Vasant an Ayurvedic Formulation Towards Therapeutic Potential in Antenatal Care","authors":"A. Wanjari, B. Rathi, Dinesh Santoshrao Wanjari, Rohit Ajit Gokarn","doi":"10.51847/5fppjrfii5","DOIUrl":"https://doi.org/10.51847/5fppjrfii5","url":null,"abstract":"","PeriodicalId":20012,"journal":{"name":"Pharmacophore","volume":"1 1","pages":""},"PeriodicalIF":0.5,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"70812902","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
Knowledge, Attitudes, and Practices Associated with Vitamin D Misuse among General Population during COVID-19 COVID-19期间普通人群中与维生素D滥用相关的知识、态度和做法
IF 0.5 Pub Date : 2023-01-01 DOI: 10.51847/cmnejaqtlr
M. M. A. El-Mawgod, A. Agarwal, Bishri Fawzan Almesned, M. M. Alruwaili, Shuruq Alshammari, Rehab Madallah Sulaiman Almatrafi
{"title":"Knowledge, Attitudes, and Practices Associated with Vitamin D Misuse among General Population during COVID-19","authors":"M. M. A. El-Mawgod, A. Agarwal, Bishri Fawzan Almesned, M. M. Alruwaili, Shuruq Alshammari, Rehab Madallah Sulaiman Almatrafi","doi":"10.51847/cmnejaqtlr","DOIUrl":"https://doi.org/10.51847/cmnejaqtlr","url":null,"abstract":"","PeriodicalId":20012,"journal":{"name":"Pharmacophore","volume":"1 1","pages":""},"PeriodicalIF":0.5,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"70817521","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
MRI Assessment of Rotator Cuff Tear in Patients with Shoulder Pain 肩痛患者肩袖撕裂的MRI评估
IF 0.5 Pub Date : 2023-01-01 DOI: 10.51847/q4teobtciz
Q. Alshammari, Awatif Radhy Alshammari, Amjad R. Alyahyawi, Alaa Sharef Alhmshe, Alanoud Saad Alshammari, Mai Fhaid Alshammari, S. Cg, M. Alshammari, M. A. Alghamdi, Asma Saud Alanazi
{"title":"MRI Assessment of Rotator Cuff Tear in Patients with Shoulder Pain","authors":"Q. Alshammari, Awatif Radhy Alshammari, Amjad R. Alyahyawi, Alaa Sharef Alhmshe, Alanoud Saad Alshammari, Mai Fhaid Alshammari, S. Cg, M. Alshammari, M. A. Alghamdi, Asma Saud Alanazi","doi":"10.51847/q4teobtciz","DOIUrl":"https://doi.org/10.51847/q4teobtciz","url":null,"abstract":"","PeriodicalId":20012,"journal":{"name":"Pharmacophore","volume":"9 1","pages":""},"PeriodicalIF":0.5,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"70830803","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
Pharmacokinetics of Amikacin in Eye Media Using Various Drugs 不同药物对阿米卡星在眼介质中的药动学影响
IF 0.5 Pub Date : 2023-01-01 DOI: 10.51847/qzs08gqjvc
Markha Khozh-Akhmedovna Bersanova, Lina Magomedovna Batkhieva, Tamar Elbrusovna Baramiya, Daniela Georgievna Birkaya, Elena Vladimirovna Belokobylskaya, Zulmira Temirsoltanovna Saidova
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引用次数: 0
Phenolic Composition, Anti-Biofilm, Anti-Quorum Sensing, Antioxidant and Enzyme Inhibitory Activities of Pteleopsis Suberosa (Combretaceae) Leaves 蕨叶的酚类成分、抗生物膜、抗群体感应、抗氧化和酶抑制活性
IF 0.5 Pub Date : 2023-01-01 DOI: 10.51847/uflidelfqf
Alain Yaya Koudoro, A. N. Tamfu, Aristide Munvera, Selcuk Kucukaydin, Pascal Agbangnan Dossa Cokou, F. Avlessi, Dominique Sohounhloue Codjo Koko, O. Ceylan
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引用次数: 0
Integration of Blockchain Technologies into Healthcare Delivery 将区块链技术集成到医疗保健服务中
IF 0.5 Pub Date : 2023-01-01 DOI: 10.51847/2lqydxj3ir
Kanagala Anusha, Gorantla Anil Kumar, Nadella Kishore, Majji Tarun
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引用次数: 0
Virtual Screening for SARS-COV-2 Entry Inhibitors by Dual Targeting of TMPRSS2 and CTSL 基于TMPRSS2和CTSL双重靶向的SARS-COV-2进入抑制剂虚拟筛选
IF 0.5 Pub Date : 2023-01-01 DOI: 10.51847/6imwqjwvpa
Ian Lemuel Sigue Virtucio, J. Punzalan, J. Billones
The COVID-19 pandemic remains to be a global public health crisis due to the emergence of new variants of concern and the scarcity of drug treatments. The cell entry of SARS-CoV-2 requires activation of its spike protein by host proteases TMPRSS2 and CTSL, which triggers membrane fusion and facilitates the endocytic uptake mechanism, respectively. This study employed a structure-based virtual screening technique to identify drugs and natural products that simultaneously target TMPRSS2 and CTSL. Two pharmacophore models were generated from the binding sites of the proteins in complex with their co-crystallized ligands. Both structure-based pharmacophores were used to screen a ligand library composed of 41,775 compounds (10,849 drugs from the ChEMBL database and 30,926 natural products from the NPASS database). A total of 115 compounds (54 drugs and 61 natural products) that fit both TMPRSS2 and CTSL pharmacophore models were identified. The common hits were docked into both proteases to obtain a short list of compounds. Molecular docking filtered 17 compounds (5 drugs and 12 natural products) that have higher binding energy values than the co-crystallized ligands and known inhibitors of both proteins. The top hits were then subjected to ADMET, drug-likeness, and synthetic accessibility filters. Based on docking scores, pharmacokinetics, and drug-likeness, Silibinin was the most promising repurposed drug candidate as a treatment for SARS-CoV-2 infection via dual inhibition of TMPRSS2 and CTSL. Among the natural products, barettin was the best candidate for further development as a novel dual TMPRSS2 and CTSL inhibitor.
由于令人担忧的新变种的出现和药物治疗的缺乏,COVID-19大流行仍然是一场全球公共卫生危机。SARS-CoV-2进入细胞需要宿主蛋白酶TMPRSS2和CTSL激活其刺突蛋白,分别触发膜融合和促进内吞摄取机制。本研究采用基于结构的虚拟筛选技术来鉴定同时靶向TMPRSS2和CTSL的药物和天然产物。从蛋白质的结合位点及其共结晶配体生成了两种药效团模型。这两种基于结构的药效团用于筛选由41,775种化合物组成的配体文库(ChEMBL数据库中的10,849种药物和NPASS数据库中的30,926种天然产物)。共鉴定出符合TMPRSS2和CTSL药效团模型的115种化合物(54种药物和61种天然产物)。将常见的靶点与两种蛋白酶对接,以获得一份简短的化合物清单。分子对接筛选了17种化合物(5种药物和12种天然产物),这些化合物的结合能值高于两种蛋白质的共结晶配体和已知抑制剂。然后对最热门的搜索结果进行ADMET、药物相似性和合成可及性过滤。基于对接评分、药代动力学和药物相似性,水飞蓟宾是最有希望通过TMPRSS2和CTSL双重抑制治疗SARS-CoV-2感染的再用途候选药物。在天然产物中,baretttin作为一种新型的TMPRSS2和CTSL双抑制剂是进一步开发的最佳候选物。
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引用次数: 1
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