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Design, synthesis, biological evaluation, and molecular modeling studies of new aminopyrimidine derivatives as potential anticancer agents 作为潜在抗癌剂的新型氨基嘧啶衍生物的设计、合成、生物学评价和分子模型研究
Journal of Computational Biophysics and Chemistry Pub Date : 2024-07-26 DOI: 10.1142/s2737416524500364
Sachin A. Dhawale, S. Mokale, Pratap S Dabhade
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引用次数: 0
Design, synthesis, evaluation, and molecular docking study of novel quinoline hydrazone analogues as anti-tubercular agents 新型喹啉腙类似物作为抗结核药物的设计、合成、评估和分子对接研究
Journal of Computational Biophysics and Chemistry Pub Date : 2024-07-26 DOI: 10.1142/s2737416524500388
Vaibhav Gupta, N. Sundaramoorthy, Neeru Bhanwala, Ramesh Ambatwar, Sumit Kumar, Ramandeep Singh, Gopal L. Khatik
{"title":"Design, synthesis, evaluation, and molecular docking study of novel quinoline hydrazone analogues as anti-tubercular agents","authors":"Vaibhav Gupta, N. Sundaramoorthy, Neeru Bhanwala, Ramesh Ambatwar, Sumit Kumar, Ramandeep Singh, Gopal L. Khatik","doi":"10.1142/s2737416524500388","DOIUrl":"https://doi.org/10.1142/s2737416524500388","url":null,"abstract":"","PeriodicalId":510193,"journal":{"name":"Journal of Computational Biophysics and Chemistry","volume":"35 42","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-07-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141800459","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
Application of Reverse Vaccinology and Immunoinformatics to Design a Multitope Vaccine against Gastrointestinal Cancer-inducing Cryptosporidium Parvum 应用逆向疫苗学和免疫信息学设计针对胃肠道致癌隐孢子虫的多靶标疫苗
Journal of Computational Biophysics and Chemistry Pub Date : 2024-07-26 DOI: 10.1142/s2737416524500376
Mohamed A. Soltan, Waleed K. Abdulsahib, R. Eid, D. S. Alshaya, Abulqasim M. B. Sideeg, Rihab Osman, T. Alarabi, Gamal Mohamed, Fawziah A Al-Salmi, Eman Fayad, Maram H. Abduljabbar, Mohammed A. Alshehri, Ahmed M. Gouda, Muhammad Alaa Eldeen
{"title":"Application of Reverse Vaccinology and Immunoinformatics to Design a Multitope Vaccine against Gastrointestinal Cancer-inducing Cryptosporidium Parvum","authors":"Mohamed A. Soltan, Waleed K. Abdulsahib, R. Eid, D. S. Alshaya, Abulqasim M. B. Sideeg, Rihab Osman, T. Alarabi, Gamal Mohamed, Fawziah A Al-Salmi, Eman Fayad, Maram H. Abduljabbar, Mohammed A. Alshehri, Ahmed M. Gouda, Muhammad Alaa Eldeen","doi":"10.1142/s2737416524500376","DOIUrl":"https://doi.org/10.1142/s2737416524500376","url":null,"abstract":"","PeriodicalId":510193,"journal":{"name":"Journal of Computational Biophysics and Chemistry","volume":"112 9","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-07-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141802150","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
Editorial: Special Issue on Artificial Intelligence in Biophysics and Chemistry 编辑生物物理与化学中的人工智能特刊
Journal of Computational Biophysics and Chemistry Pub Date : 2024-07-20 DOI: 10.1142/s2737416524020010
Dong Chen, Jian Jiang, Menglun Wang
{"title":"Editorial: Special Issue on Artificial Intelligence in Biophysics and Chemistry","authors":"Dong Chen, Jian Jiang, Menglun Wang","doi":"10.1142/s2737416524020010","DOIUrl":"https://doi.org/10.1142/s2737416524020010","url":null,"abstract":"","PeriodicalId":510193,"journal":{"name":"Journal of Computational Biophysics and Chemistry","volume":"125 5","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-07-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141819553","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
Computational insights into the resistance of the gatekeeper mutation V564F of FGFR2 against Pemigatinib 计算揭示 FGFR2 的守门员突变 V564F 对 Pemigatinib 的耐药性
Journal of Computational Biophysics and Chemistry Pub Date : 2024-05-17 DOI: 10.1142/s2737416524500182
Jiayu Liu, Qi Jin, Jingying Xia, Ling Liu, Yuee Liu, Lei Jiang
{"title":"Computational insights into the resistance of the gatekeeper mutation V564F of FGFR2 against Pemigatinib","authors":"Jiayu Liu, Qi Jin, Jingying Xia, Ling Liu, Yuee Liu, Lei Jiang","doi":"10.1142/s2737416524500182","DOIUrl":"https://doi.org/10.1142/s2737416524500182","url":null,"abstract":"","PeriodicalId":510193,"journal":{"name":"Journal of Computational Biophysics and Chemistry","volume":"4 8","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-05-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140962992","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
Systematic Modelling of N-type D-A-D Conjugated Small Molecule-based Non-Fullerene Acceptors for Organic Photovoltaics 用于有机光伏的 N 型 D-A-D 共轭小分子非富勒烯受体的系统建模
Journal of Computational Biophysics and Chemistry Pub Date : 2024-05-10 DOI: 10.1142/s2737416524500170
Muzammil Hussain, Muhammad Adnan, Zobia Irshad, Riaz Hussain, Hany W. Darwish, Malik Muhammad Asif Iqbal
{"title":"Systematic Modelling of N-type D-A-D Conjugated Small Molecule-based Non-Fullerene Acceptors for Organic Photovoltaics","authors":"Muzammil Hussain, Muhammad Adnan, Zobia Irshad, Riaz Hussain, Hany W. Darwish, Malik Muhammad Asif Iqbal","doi":"10.1142/s2737416524500170","DOIUrl":"https://doi.org/10.1142/s2737416524500170","url":null,"abstract":"","PeriodicalId":510193,"journal":{"name":"Journal of Computational Biophysics and Chemistry","volume":" 2","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-05-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140990386","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
Unrevealing the relationship between traumatic brain injury and parkinson's disease by transcriptome profiling 通过转录组特征分析揭示脑外伤与帕金森病之间的关系
Journal of Computational Biophysics and Chemistry Pub Date : 2024-05-10 DOI: 10.1142/s2737416524500157
Yazhini, Riddhi Upadhyay, Ashiru Aliyu Zainulabidin, Pitchaimuthu Xavier, Murugan Sevanan, Muthu Kumar Thirunavukkarasu
{"title":"Unrevealing the relationship between traumatic brain injury and parkinson's disease by transcriptome profiling","authors":"Yazhini, Riddhi Upadhyay, Ashiru Aliyu Zainulabidin, Pitchaimuthu Xavier, Murugan Sevanan, Muthu Kumar Thirunavukkarasu","doi":"10.1142/s2737416524500157","DOIUrl":"https://doi.org/10.1142/s2737416524500157","url":null,"abstract":"","PeriodicalId":510193,"journal":{"name":"Journal of Computational Biophysics and Chemistry","volume":" 49","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-05-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140991384","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
Phytochemical identification and assessment of Amberboa ramosa Mediated Inhibition of Microtubule and EGFR Associated Growth and Metastasis of Breast Cancer Cells: In vitro and in silico perspective Amberboa ramosa 介导的微管和表皮生长因子受体相关乳腺癌细胞生长和转移抑制的植物化学鉴定和评估：体外和硅学视角
Journal of Computational Biophysics and Chemistry Pub Date : 2024-05-10 DOI: 10.1142/s2737416524500145
Virendra Nath, Aayushi Bhatnagar, Harish Kumar, Anil Kumar Chandravanshi, Ankit Sharma, C. Mandal, Vipin Kumar
{"title":"Phytochemical identification and assessment of Amberboa ramosa Mediated Inhibition of Microtubule and EGFR Associated Growth and Metastasis of Breast Cancer Cells: In vitro and in silico perspective","authors":"Virendra Nath, Aayushi Bhatnagar, Harish Kumar, Anil Kumar Chandravanshi, Ankit Sharma, C. Mandal, Vipin Kumar","doi":"10.1142/s2737416524500145","DOIUrl":"https://doi.org/10.1142/s2737416524500145","url":null,"abstract":"","PeriodicalId":510193,"journal":{"name":"Journal of Computational Biophysics and Chemistry","volume":" 6","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-05-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140990910","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
Molecular Interactions Between Hexanal Schiff Bases and Boron Nanocages: A DFT Approach 己醛席夫碱与硼纳米笼之间的分子相互作用：DFT 方法
Journal of Computational Biophysics and Chemistry Pub Date : 2024-05-10 DOI: 10.1142/s2737416524500169
P. Surendar, S. K. Jesudoss, C. Raja, K. Rajimon, Renjith Thomas, T. Pooventhiran
{"title":"Molecular Interactions Between Hexanal Schiff Bases and Boron Nanocages: A DFT Approach","authors":"P. Surendar, S. K. Jesudoss, C. Raja, K. Rajimon, Renjith Thomas, T. Pooventhiran","doi":"10.1142/s2737416524500169","DOIUrl":"https://doi.org/10.1142/s2737416524500169","url":null,"abstract":"","PeriodicalId":510193,"journal":{"name":"Journal of Computational Biophysics and Chemistry","volume":" 2","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-05-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140992555","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
The effects of metal ions and nucleotides on the conformation of actin 金属离子和核苷酸对肌动蛋白构象的影响
Journal of Computational Biophysics and Chemistry Pub Date : 2024-01-05 DOI: 10.1142/s2737416524500017
Yiwen Wang, Li-Yan Xu, E. Li, Geng Dong
{"title":"The effects of metal ions and nucleotides on the conformation of actin","authors":"Yiwen Wang, Li-Yan Xu, E. Li, Geng Dong","doi":"10.1142/s2737416524500017","DOIUrl":"https://doi.org/10.1142/s2737416524500017","url":null,"abstract":"","PeriodicalId":510193,"journal":{"name":"Journal of Computational Biophysics and Chemistry","volume":"88 5","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-01-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139450477","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
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