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Multi-Targeting Derivatives of (±)-Aminoglutethimide: Synthesis, Anti-leishmanial, Cytotoxicity against Cancerous Cells and Molecular Docking Studies (±)-氨基丁亚胺的多靶向衍生物：合成、抗利什曼病、对癌细胞的细胞毒性和分子对接研究
Journal of Molecular Structure Pub Date : 2024-02-01 DOI: 10.1016/j.molstruc.2024.137696
Muhammad Sajid, Hina Siddiqui, Ruby Sharif, Humaira Zafar, Sammer Yousuf, M. I. Choudhary
{"title":"Multi-Targeting Derivatives of (±)-Aminoglutethimide: Synthesis, Anti-leishmanial, Cytotoxicity against Cancerous Cells and Molecular Docking Studies","authors":"Muhammad Sajid, Hina Siddiqui, Ruby Sharif, Humaira Zafar, Sammer Yousuf, M. I. Choudhary","doi":"10.1016/j.molstruc.2024.137696","DOIUrl":"https://doi.org/10.1016/j.molstruc.2024.137696","url":null,"abstract":"","PeriodicalId":503318,"journal":{"name":"Journal of Molecular Structure","volume":"41 5","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139891141","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
Biological and computational assessment of new synthesized nicotinamides as potential immunomodulatory VEGFR-2 inhibitors 对作为潜在免疫调节 VEGFR-2 抑制剂的新合成烟酰胺进行生物学和计算评估
Journal of Molecular Structure Pub Date : 2024-02-01 DOI: 10.1016/j.molstruc.2024.137753
Reda G. Yousef, Alaa Elwan, A. E. Abdallah, H. Elkady, Ahmed B. M. Mehany, Mariam Ali Abo-Saif, Mohamed M. Radwan, Mahmoud A ElSohly, Ibrahim M. Ibrahim, Mohamed A Elkady, M. El-Zahabi, Ibrahim H. Eissa
{"title":"Biological and computational assessment of new synthesized nicotinamides as potential immunomodulatory VEGFR-2 inhibitors","authors":"Reda G. Yousef, Alaa Elwan, A. E. Abdallah, H. Elkady, Ahmed B. M. Mehany, Mariam Ali Abo-Saif, Mohamed M. Radwan, Mahmoud A ElSohly, Ibrahim M. Ibrahim, Mohamed A Elkady, M. El-Zahabi, Ibrahim H. Eissa","doi":"10.1016/j.molstruc.2024.137753","DOIUrl":"https://doi.org/10.1016/j.molstruc.2024.137753","url":null,"abstract":"","PeriodicalId":503318,"journal":{"name":"Journal of Molecular Structure","volume":"1168 ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139820283","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
Probing the Fermi Resonances of Pyridine Surrounded by Hydrogen Bonding Network by Density Functional Theory 用密度泛函理论探测氢键网络包围的吡啶的费米共振
Journal of Molecular Structure Pub Date : 2024-02-01 DOI: 10.1016/j.molstruc.2024.137759
Ke Deng, Xianwen Cao, Lu Xing, Junying Hu, Wei Zhang, Z. Men, Shenghan Wang, Chenglin Sun
{"title":"Probing the Fermi Resonances of Pyridine Surrounded by Hydrogen Bonding Network by Density Functional Theory","authors":"Ke Deng, Xianwen Cao, Lu Xing, Junying Hu, Wei Zhang, Z. Men, Shenghan Wang, Chenglin Sun","doi":"10.1016/j.molstruc.2024.137759","DOIUrl":"https://doi.org/10.1016/j.molstruc.2024.137759","url":null,"abstract":"","PeriodicalId":503318,"journal":{"name":"Journal of Molecular Structure","volume":"25 2","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139812521","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
Utilizing a Copper Foam Electrode as the Catalyst in Sonogashira C-H Activation Coupling Reactions for the Electro-Oxidation Synthesis of Diphenylethyne Derivatives 在电氧化合成二苯基乙炔衍生物的 Sonogashira C-H 活化偶联反应中利用泡沫铜电极作为催化剂
Journal of Molecular Structure Pub Date : 2024-02-01 DOI: 10.1016/j.molstruc.2024.137757
A. Al-Rubaye, S. Al-Rejaie, Z. Alaridhee, Mohamed Mohany, Hawzhen Fateh M.Ameen, Nadhir N.A. Jafar, Dheyaa J. Jasim, Hasan Majdi, Abhinav Kumar, M. Al-Anber, Majid Jabir, Ahmed Elawady
{"title":"Utilizing a Copper Foam Electrode as the Catalyst in Sonogashira C-H Activation Coupling Reactions for the Electro-Oxidation Synthesis of Diphenylethyne Derivatives","authors":"A. Al-Rubaye, S. Al-Rejaie, Z. Alaridhee, Mohamed Mohany, Hawzhen Fateh M.Ameen, Nadhir N.A. Jafar, Dheyaa J. Jasim, Hasan Majdi, Abhinav Kumar, M. Al-Anber, Majid Jabir, Ahmed Elawady","doi":"10.1016/j.molstruc.2024.137757","DOIUrl":"https://doi.org/10.1016/j.molstruc.2024.137757","url":null,"abstract":"","PeriodicalId":503318,"journal":{"name":"Journal of Molecular Structure","volume":"62 3","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139816976","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
Anticancer activity of new triazolopyrimidine linked coumarin and quinolone hybrids: synthesis, molecular modeling, TrkA, PI3K/AKT and EGFR inhibition 新型三唑并嘧啶香豆素和喹诺酮混合物的抗癌活性：合成、分子建模、TrkA、PI3K/AKT 和表皮生长因子受体抑制作用
Journal of Molecular Structure Pub Date : 2024-02-01 DOI: 10.1016/j.molstruc.2024.137790
Rasha Z. Batran, Eman Y. Ahmed, E. Nossier, Hanem M. Awad, N. A. Latif
{"title":"Anticancer activity of new triazolopyrimidine linked coumarin and quinolone hybrids: synthesis, molecular modeling, TrkA, PI3K/AKT and EGFR inhibition","authors":"Rasha Z. Batran, Eman Y. Ahmed, E. Nossier, Hanem M. Awad, N. A. Latif","doi":"10.1016/j.molstruc.2024.137790","DOIUrl":"https://doi.org/10.1016/j.molstruc.2024.137790","url":null,"abstract":"","PeriodicalId":503318,"journal":{"name":"Journal of Molecular Structure","volume":"15 11","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139818591","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
Synthesis, spectroscopic, SC-XRD, DFT, RAHBs, RDG, molecular docking and in vitro anticancer evaluation of ethyl 1,2,5,6-tetrahydro-4-hydroxy-2,6-diphenylpyridine-3-carboxylate 1,2,5,6-四氢-4-羟基-2,6-二苯基吡啶-3-甲酸乙酯的合成、光谱、SC-XRD、DFT、RAHBs、RDG、分子对接和体外抗癌评价
Journal of Molecular Structure Pub Date : 2024-02-01 DOI: 10.1016/j.molstruc.2024.137731
Jayanthi Sampathkumar, P. A. Dalavi, Jayachandran Venkatesan, Nepolraj Amaladoss, Ramachandran Rajamanickam
{"title":"Synthesis, spectroscopic, SC-XRD, DFT, RAHBs, RDG, molecular docking and in vitro anticancer evaluation of ethyl 1,2,5,6-tetrahydro-4-hydroxy-2,6-diphenylpyridine-3-carboxylate","authors":"Jayanthi Sampathkumar, P. A. Dalavi, Jayachandran Venkatesan, Nepolraj Amaladoss, Ramachandran Rajamanickam","doi":"10.1016/j.molstruc.2024.137731","DOIUrl":"https://doi.org/10.1016/j.molstruc.2024.137731","url":null,"abstract":"","PeriodicalId":503318,"journal":{"name":"Journal of Molecular Structure","volume":"675 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139820615","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
Crystal structure and photophysical and electrochemical properties of the first octamolybdate porphyrin 第一种八钼酸盐卟啉的晶体结构和光物理及电化学特性
Journal of Molecular Structure Pub Date : 2024-02-01 DOI: 10.1016/j.molstruc.2024.137762
Hao-Dong Liu, Yu-Yue Xu, Xi-Yu Shao, Long-Hua Zeng, Wen-Tong Chen, Cheng Liu, Sheng-Ping Dai, Chang-Wang Pan
{"title":"Crystal structure and photophysical and electrochemical properties of the first octamolybdate porphyrin","authors":"Hao-Dong Liu, Yu-Yue Xu, Xi-Yu Shao, Long-Hua Zeng, Wen-Tong Chen, Cheng Liu, Sheng-Ping Dai, Chang-Wang Pan","doi":"10.1016/j.molstruc.2024.137762","DOIUrl":"https://doi.org/10.1016/j.molstruc.2024.137762","url":null,"abstract":"","PeriodicalId":503318,"journal":{"name":"Journal of Molecular Structure","volume":"100 ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139827267","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
Surfactant-free Synthesis of Mesoporous Silica Materials (Using Tetraetylorthosilicate and Oleic Acid): Preparation, Characterization, and Catalytic Applications 无表面活性剂合成介孔二氧化硅材料（使用四乙基正硅酸盐和油酸）：制备、表征和催化应用
Journal of Molecular Structure Pub Date : 2024-02-01 DOI: 10.1016/j.molstruc.2024.137807
Z. Heidarnezhad, A. Ghorbani‐Choghamarani, Zahra Taherinia
{"title":"Surfactant-free Synthesis of Mesoporous Silica Materials (Using Tetraetylorthosilicate and Oleic Acid): Preparation, Characterization, and Catalytic Applications","authors":"Z. Heidarnezhad, A. Ghorbani‐Choghamarani, Zahra Taherinia","doi":"10.1016/j.molstruc.2024.137807","DOIUrl":"https://doi.org/10.1016/j.molstruc.2024.137807","url":null,"abstract":"","PeriodicalId":503318,"journal":{"name":"Journal of Molecular Structure","volume":"19 2","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139815949","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
Unveiling Sustainable, Greener Synthesis Strategies and Multifaceted Applications of Copper Oxide Nanoparticles 揭示氧化铜纳米粒子的可持续、更环保的合成策略和多方面应用
Journal of Molecular Structure Pub Date : 2024-02-01 DOI: 10.1016/j.molstruc.2024.137788
M. Mathanmohun, Suresh Sagadevan, Md Zillur Rahman, J. Lett, Is Fatimah, Srikanta Moharana, Seema Garg, M. Al-Anber
{"title":"Unveiling Sustainable, Greener Synthesis Strategies and Multifaceted Applications of Copper Oxide Nanoparticles","authors":"M. Mathanmohun, Suresh Sagadevan, Md Zillur Rahman, J. Lett, Is Fatimah, Srikanta Moharana, Seema Garg, M. Al-Anber","doi":"10.1016/j.molstruc.2024.137788","DOIUrl":"https://doi.org/10.1016/j.molstruc.2024.137788","url":null,"abstract":"","PeriodicalId":503318,"journal":{"name":"Journal of Molecular Structure","volume":"22 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139880598","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
Synthesis, activity, docking and dynamic simulation studies of novel pyrazolo-pyrano[2,3-d]-pyrimidine analogues as anti-diabetic agents 新型吡唑并吡喃并[2,3-d]嘧啶类似物作为抗糖尿病药物的合成、活性、对接和动态模拟研究
Journal of Molecular Structure Pub Date : 2024-02-01 DOI: 10.1016/j.molstruc.2024.137720
Navara Santosh Kumar, Ganta Ravi Kumar, Harihara Padhy, P. Karunakar, S. Maddila
{"title":"Synthesis, activity, docking and dynamic simulation studies of novel pyrazolo-pyrano[2,3-d]-pyrimidine analogues as anti-diabetic agents","authors":"Navara Santosh Kumar, Ganta Ravi Kumar, Harihara Padhy, P. Karunakar, S. Maddila","doi":"10.1016/j.molstruc.2024.137720","DOIUrl":"https://doi.org/10.1016/j.molstruc.2024.137720","url":null,"abstract":"","PeriodicalId":503318,"journal":{"name":"Journal of Molecular Structure","volume":"322 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139884341","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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