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

Rossafi, Bouchra; Abchir, Oussama; Guerguer, Fatimazahra; Abass, Kasim Sakran; Yamari, Imane; El Kouali, M'hammed; Samadi, Abdelouahid; Chtita, Samir

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

Bouamri, Lamiae El; Laaouina, Salma; Lakrim, Ibtissam; Nour, Hassan; Yamari, Imane; Samadi, Abdelouahid; Bouachrine, Mohammed; Chtita, Samir

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

Khedraoui, Meriem; Karim, El Mehdi; Yamari, Imane; Errougui, Abdelkbir; Dermawan, Doni; Alotaiq, Nasser; Chtita, Samir

Synthesis, crystal structure, anticancer activity and computational studies of novel Pyrazolo[4',3':5,6]pyrano[2,3-d]pyrimidine derivatives as potential anticancer agents

新型吡唑并[4',3':5,6]吡喃并[2,3-d]嘧啶衍生物的合成、晶体结构、抗癌活性及计算研究及其作为潜在抗癌药物的作用

Ait Elmachkouri, Younesse; Irrou, Ezaddine; Yamari, Imane; Chtita, Samir; Toubi, Yahya; AlAjmi, Mohamed F; Oubella, Ali; Mague, Joel T; Sebbar, Nada Kheira; Taha, Mohamed Labd

Integrative Approach for Designing Novel Triazole Derivatives as α-Glucosidase Inhibitors: QSAR, Molecular Docking, ADMET, and Molecular Dynamics Investigations

综合方法设计新型三唑衍生物作为α-葡萄糖苷酶抑制剂:QSAR、分子对接、ADMET和分子动力学研究

Abchir, Oussama; Khedraoui, Meriem; Nour, Hassan; Yamari, Imane; Errougui, Abdelkbir; Samadi, Abdelouahid; Chtita, Samir

An In Silico Study Based on QSAR and Molecular Docking and Molecular Dynamics Simulation for the Discovery of Novel Potent Inhibitor against AChE

基于定量构效关系(QSAR)、分子对接和分子动力学模拟的计算机辅助研究,旨在发现新型高效的乙酰胆碱酯酶(AChE)抑制剂。

Khedraoui, Meriem; Abchir, Oussama; Nour, Hassan; Yamari, Imane; Errougui, Abdelkbir; Samadi, Abdelouahid; Chtita, Samir

Unveiling Moroccan Nature's Arsenal: A Computational Molecular Docking, Density Functional Theory, and Molecular Dynamics Study of Natural Compounds against Drug-Resistant Fungal Infections

揭秘摩洛哥天然武器库:利用计算分子对接、密度泛函理论和分子动力学方法研究天然化合物对抗耐药真菌感染

Yamari, Imane; Abchir, Oussama; Nour, Hassan; Khedraoui, Meriem; Rossafi, Bouchra; Errougui, Abdelkbir; Talbi, Mohammed; Samadi, Abdelouahid; Kouali, MHammed El; Chtita, Samir

Repurposing of sericin combined with dactolisib or vitamin D to combat non-small lung cancer cells through computational and biological investigations.

通过计算和生物学研究,重新利用丝胶蛋白与达克利西布或维生素 D 联合治疗非小细胞肺癌

Helmy Maged W, Youssef Mariam H, Yamari Imane, Amr Alaa, Moussa Farouzia I, El Wakil Abeer, Chtita Samir, El-Samad Lamia M, Hassan Mohamed A

The anti-SARS-CoV-2 activity of novel 9, 10-dihydrophenanthrene derivatives: an insight into molecular docking, ADMET analysis, and molecular dynamics simulation

新型9,10-二氢菲衍生物的抗SARS-CoV-2活性:分子对接、ADMET分析和分子动力学模拟研究

Yamari, Imane; Abchir, Oussama; Mali, Suraj N; Errougui, Abdelkbir; Talbi, Mohammed; Kouali, Mhammed El; Chtita, Samir