日期 影响因子
日期:
2020 年 — 2026 年
2020
2021
2022
2023
2024
2025
2026
影响因子:
–

Structure-Based Virtual Screening and In Silico Evaluation of Marine Algae Metabolites as Potential α-Glucosidase Inhibitors for Antidiabetic Drug Discovery

基于结构的虚拟筛选和计算机模拟评价海洋藻类代谢物作为潜在的α-葡萄糖苷酶抑制剂在抗糖尿病药物发现中的应用

期刊:Pharmaceuticals
影响因子:4.8
doi:10.3390/ph19010098
Rossafi, Bouchra; Abchir, Oussama; Guerguer, Fatimazahra; Abass, Kasim Sakran; Yamari, Imane; El Kouali, M'hammed; Samadi, Abdelouahid; Chtita, Samir
代谢
糖尿病
发表日期：2026
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Chemical composition and larvicidal efficacy of essential oils from three artemisia species endemic to the Mediterranean region against Culex pipiens (L.), insecticide-resistant vector: in vivo and in silico studies

地中海地区三种特有蒿属植物精油的化学成分及其对淡色库蚊（Culex pipiens (L.)，一种抗杀虫剂媒介昆虫）幼虫的杀灭效果：体内和计算机模拟研究

期刊:Frontiers in Plant Science
影响因子:4.8
doi:10.3389/fpls.2026.1742643
Chebbac, Khalid; Guerguer, Fatimazahra; Chalkha, Mohammed; El Moussaoui, Abdelfattah; Bassouya, Mohammed; Lafraxo, Soufyane; Saleh, Na'il; Benziane Ouaritini, Zineb; Chtita, Samir; Guemmouh, Raja
发表日期：2026
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Integrated Computational Investigation of Cannabis sativa Phytoconstituents as Putative Multi-Target Inhibitors in Skin Cancer: A Molecular Docking, Dynamics, and ADMET Profiling Study

大麻植物成分作为皮肤癌潜在多靶点抑制剂的综合计算研究：分子对接、动力学和ADMET分析

期刊:Pharmaceuticals
影响因子:4.8
doi:10.3390/ph19020315
Bouamri, Lamiae El; Laaouina, Salma; Lakrim, Ibtissam; Nour, Hassan; Yamari, Imane; Samadi, Abdelouahid; Bouachrine, Mohammed; Chtita, Samir
肿瘤
MET
肿瘤免疫
皮肤癌
发表日期：2026
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Synthesis, characterization, in vitro and computational assessment of new xanthene hydrazone derivatives as promising vasorelaxant agents

合成、表征、体外和计算评估新型呫吨腙衍生物作为有前景的血管舒张剂

期刊:RSC Advances
影响因子:4.6
doi:10.1039/d6ra01067a
El Mesky, Mohammed; Bouadid, Ismail; Guerguer, Fatimazahra; Zgueni, Hicham; Rhazi, Yassine; Chalkha, Mohammed; Khallouki, Farid; Chtita, Samir; AlSedairy, Sahar Abdulaziz; Aboul-Soud, Mourad A M; Giesy, John P; Chebabe, Driss; Mabrouk, El Houssine; Eddouks, Mohamed
发表日期：2026
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New isoxazole-based heterocyclic hybrids with dual antimicrobial and antioxidant bioactivity: integrated synthesis, in vitro assessment, and computational exploration

新型异噁唑基杂环化合物具有双重抗菌和抗氧化活性：综合合成、体外评价和计算探索

期刊:RSC Advances
影响因子:4.6
doi:10.1039/d6ra01005a
Arzine, Aziz; Ait Assou, Soumia; El Bouamri, Lamiae; Chalkha, Mohammed; Nakkabi, Asmae; Chtita, Samir; M Aljowaie, Reem; A M Aboul-Soud, Mourad; El Hassouni, Mohammed; P Giesy, John; El Yazidi, Mohamed
发表日期：2026
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Exploring the Biological Potency of Carotenoids Against Alzheimer's Disease: An Integrated Approach of Molecular Docking and Molecular Dynamics

探索类胡萝卜素对抗阿尔茨海默病的生物学效力：分子对接与分子动力学的综合方法

期刊:Current Issues in Molecular Biology
影响因子:3
doi:10.3390/cimb48040407
Khedraoui, Meriem; Karim, El Mehdi; Yamari, Imane; Errougui, Abdelkbir; Dermawan, Doni; Alotaiq, Nasser; Chtita, Samir
阿尔茨海默症
发表日期：2026
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Computational identification of Azadirachta indica compounds targeting trypanothione reductase in Leishmania infantum

利用计算机方法鉴定印度楝树提取物中靶向利什曼原虫锥虫硫还原酶的化合物

期刊:Bioinformatics Advances
影响因子:2.8
doi:10.1093/bioadv/vbaf318
Samson, Onile Olugbenga; Samuel, Olukunle; Ignatius, Fadahunsi Adeyinka; Adelonpe, Onile Tolulope; Abdul, Momoh; Oladipo, Kolawole; Esther, Afolabi Titilope; Omotara, Raji; Nour, Hassan; Chtita, Samir
发表日期：2026
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Computational modeling for rational design of novel phenoxy tacrine derivatives targeting Alzheimer's disease

利用计算模型合理设计靶向阿尔茨海默病的新型苯氧基他克林衍生物

期刊:PLoS One
影响因子:2.6
doi:10.1371/journal.pone.0343723
El Fadili, Mohamed; Er-Rajy, Mohammed; Mujwar, Somdutt; Samadi, Abdelouahid; Chtita, Samir; Elhallaoui, Menana
阿尔茨海默症
发表日期：2026
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In-silico assessment of phytochemical derivatives generated using CHEESE webserver for advancement of druggable candidate in pancreatic cancer therapy

利用 CHEESE 网络服务器对生成的植物化学衍生物进行计算机模拟评估，以推进胰腺癌治疗中潜在药物的研发。

期刊:
影响因子:
doi:10.1007/s40203-025-00536-w
Olowosoke, Christopher Busayo; Ishabiyi, Felix Oluwasegun; Bouribab, Amal; Munir, Aqsa; Awoyemi, Blessing; Nsofo, Winifred Njideka; Christabel, Amorha Chizoba; Joy, Jonah Ojochogwu; Chtita, Samir; Omoboyede, Victor; Chukwuemeka, Prosper Obed
胰腺癌
肿瘤
肿瘤免疫
发表日期：2026
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Molecular Insights into Bromocriptine Binding to GPCRs Within Histamine-Linked Signaling Networks: Network Pharmacology, Pharmacophore Modeling, and Molecular Dynamics Simulation

溴隐亭与组胺相关信号网络中GPCR结合的分子机制：网络药理学、药效团建模和分子动力学模拟

期刊:International Journal of Molecular Sciences
影响因子:4.9
doi:10.3390/ijms26178717
Dermawan, Doni; Elbouamri, Lamiae; Chtita, Samir; Alotaiq, Nasser
信号转导
GPCR/Calcium/cAMP
发表日期：2025
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