未登录 Novel quinoline derivatives: Synthesis, crystal structure, structural characterization, Hirshfeld surface analysis, DFT studies, ADMET, molecular docking, and antibacterial activity 新型喹啉衍生物:合成、晶体结构、结构表征、Hirshfeld表面分析、DFT研究、ADMET、分子对接和抗菌活性 El-Mrabet, Ayoub; Sert, Yusuf; Capet, Frederic; Bouamri, Khawla; Mague, Joel T.; Kandri-Rodi, Youssef; Mazzah, Ahmed; Haoudi, Amal; Sebbar, Nada Kheira 分享 收藏
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Crystallographic Study, Biological Evaluation and Docking/MD/POM Analyses of Isoxazole-Linked Sulfonate Ester Conjugates 晶体学研究、生物活性评价以及异恶唑连接的磺酸酯缀合物的对接/分子动力学/潜在能量最小化分析 Arzine, Aziz; Faiz, Khaoula; Bouribab, Amal; Soulo, Najoua; Retailleau, Pascal; Chalkha, Mohammed; Nakkabi, Asmae; Chtita, Samir; Louaste, Bouchra; Ben Hadda, Taibi; Chkirate, Karim; Mague, Joel T.; Duong, Adam; Aljowaiee, Reem M.; Aboul-Soud, Mourad A. M.; El Yazidi, Mohamed 分享 收藏
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Synthesis, Single-Crystal X-Ray Investigation, Computational Evaluation, Molecular Docking, and Dynamics Simulation of New Tetrahydroisoquinoline Derivatives 新四氢异喹啉衍生物的合成、单晶X射线研究、计算评估、分子对接和动力学模拟 Mohamed, Shaaban K.; Karthikeyan, Subramani; Shah, Khizar Hussain; Soliman, Abdelhamid A. E.; Bakhite, Etify A.; Marae, Islam S.; Zaki, Remon M.; Radwan, Shaban M.; Smerat, Aseel; Balboul, Basma A. A.; Mague, Joel T.; El Bakri, Youness 分享 收藏
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Synthesis, Structural, Electronic, and Medicinal Characterization of a Thiophene-Bearing Polycyclic Compound: An Approach to Discover Potential Lead Compounds for Precision Cancer Therapy 噻吩基多环化合物的合成、结构、电子及药用表征:一种发现精准癌症治疗潜在先导化合物的策略 Mohamed, Shaaban K.; Siddique, Sabir Ali; Sarfraz, Muhammad; Bakhite, Etify A.; Abuelhassan, Suzan; Marae, Islam S.; Soliman, Abdelhamid A. E.; Khamies, Esraa; Smerat, Aseel; Balboul, Basma A. A.; Mague, Joel T.; El Bakri, Youness 分享 收藏
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New 2(E)-Pyran-3-ylidene-1,5-benzodiazepine Compounds: Synthesis, Crystal Structure, Hirshfeld Surface Analysis, DFT Calculations and Molecular Docking Studies Faraj, Imane; Elmsellem, Hicham; El Haddad, Soukaina; Mustapha, Zouhair; Elhenawy, Ahmed A.; El Hafi, Mohamed; Mague, Joel T.; El Ghayati, Lhoussaine; Essassi, El Mokhtar; Sebbar, Nada Kheira 分享 收藏
Design, Synthesis, and In Vitro, and In Silico Evaluation of N2-and/or C5-Substituted Pyrazolo[4′,3′:5,6]Pyrano[2,3-d]Pyrimidine Derivatives as Promising Anticancer Agents Targeting Leukemia and Breast Cancer N2-和/或C5-取代的吡唑并[4′,3′:5,6]吡喃并[2,3-d]嘧啶衍生物的设计、合成及体外和计算机模拟评价:作为靶向白血病和乳腺癌的潜在抗癌剂 Elmachkouri, Younesse Ait; Irrou, Ezaddine; Yamari, Imane; Chtita, Samir; El Haddad, Soukaina; AlAjmi, Mohamed F.; Oubella, Ali; Mague, Joel T.; Sebbar, Nada Kheira; Taha, Mohamed Labd 分享 收藏
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Novel hybrid pyridazinone-arylacetamide: Synthesis, crystal structure, toxicity, antidiabetic activity, oral starch tolerance test (OSTT), absorption distribution metabolism excretion toxicity (ADMET) and docking studies 新型杂合哒嗪酮-芳基乙酰胺: 合成,晶体结构,毒性,抗糖尿病活性,口服淀粉耐受性试验 (OSTT),吸收分布代谢排泄毒性 (ADMET) 和对接研究 Assila, Hamza; Mortada, Salma; Guerrab, Walid; El Hassani, Issam Ameziane; Zaoui, Younes; Mague, Joel; Faouzi, Moulay Abbes; Al-Sulami, Ahlam I.; Ramli, Youssef; Ansar, M'Hammed 分享 收藏
Synthesis, Crystal Structure, DFT Calculations, Hirshfeld Surface Analysis, and Anticancer Effect of Ethyl 2-(3-methyl-11-oxo-10,11-dihydro-5H-dibenzo[1,5] diazepin-1-yl) Acetate 合成、晶体结构、DFT计算、Hirshfeld表面分析和乙基2-(3-甲基-11-氧代-10,11-二氢-5H-二苯并[1,5]二氮杂䓬-1-基)乙酸酯的抗肿瘤作用 Al Ati, Gamal; Asiri, Hanadi; Lahmidi, Sanae; Bakheit, Ahmad H.; Chkirate, Karim; Mirgany, Tebyan O.; Azzaoui, Khalil; Achour, Redouane; Essassi, El Mokhtar; Mague, Joel T.; Alanazi, Ashwag S.; Alanazi, Mohammed M. 分享 收藏
Crystal Structure Investigation, DFT Calculations, Molecular Dynamic Study of a New Imidazole as a Potent Inhibitor of Microbial Hormone-Sensitive Lipase-E53 晶体结构研究、DFT计算、分子动力学研究作为一种新型咪唑类化合物对微生物激素敏感性脂肪酶-E53的强效抑制作用 El Bakri, Youness; Mohamed, Shaaban K.; Ahsin, Atazaz; Karthikeyan, Subramani; Qamar, Aamna; Sarfraz, Muhammad; Abuelizz, Hatem A.; Al-Salahi, Rashad; Mague, Joel T. 分享 收藏
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Synthesis, X-ray, spectroscopic characterization (NMR, FT-IR, Raman, and UV-VIS), Hirshfeld surface analysis, DFT, molecular docking, and estimating anticancer of 5,6-diphenyl-3-(prop-2-yn-1-ylthio)-1,2,4-triazine Nouayti, Fatima Zohra; Oufkir, Noureddine; Lahmidi, Sanae; Rehioui, Malak; Anouar, El Hassane; Filali, Insaf; Hajji, Hadda; El Yazidi, Mohamed; Mague, Joel T.; Essassi, El Mokhtar; Lazrak, Fatima 分享 收藏