Theo Mauri,Laurence Menu-Bouaouiche,Muriel Bardor et al.
Theo Mauri et al.
Background: O-GlcNAcylation is an essential post-translational modification (PTM) in mammalian cells. It consists in the addition of a N-acetylglucosamine (GlcNAc) residue onto serines or threonines by an O-GlcNAc transfe...
Chemoinformatic Analysis of Psychotropic and Antihistaminic Drugs in the Light of Experimental Anti-SARS-CoV-2 Activities [0.03%]
基于实验的抗SARS-CoV-2活性的精神病药物和抗组胺药的化学信息学分析
Bruno O Villoutreix,Rajagopal Krishnamoorthy,Ryad Tamouza et al.
Bruno O Villoutreix et al.
Introduction: There is an urgent need to identify therapies that prevent SARS-CoV-2 infection and improve the outcome of COVID-19 patients. Objective: ...
Enhanced Understanding of Molecular Interactions and Function Underlying Pain Processes Through Networks of Transcript Isoforms, Genes, and Gene Families [0.03%]
利用转录本、基因和基因家族网络增强对疼痛过程分子相互作用和功能的理解
Pan Zhang,Bruce R Southey,Jonathan V Sweedler et al.
Pan Zhang et al.
Introduction: Molecular networks based on the abundance of mRNA at the gene level and pathway networks that relate families or groups of paralog genes have supported the understanding of interactions between molecules. Ho...
An Overview of Current Uses and Future Opportunities for Computer-Assisted Design of Vaccines for Neglected Tropical Diseases [0.03%]
被忽视的热带病疫苗计算机辅助设计的现状和未来机遇概述
Raquel Robleda-Castillo,Albert Ros-Lucas,Nieves Martinez-Peinado et al.
Raquel Robleda-Castillo et al.
Neglected tropical diseases are infectious diseases that impose high morbidity and mortality rates over 1.5 billion people worldwide. Originally restricted to tropical and subtropical regions, changing climate conditions have increased thei...
In silico Molecular Docking, DFT Analysis and ADMET Studies of Carbazole Alkaloid and Coumarins from Roots of Clausena anisata: A Potent Inhibitor for Quorum Sensing [0.03%]
分子对接、DFT分析和ADMET研究：Clausena anisata根中 Carbazole生物碱和香豆素的群体感应抑制剂研究
Rajalakshmanan Eswaramoorthy,Hadgu Hailekiros,Fedlu Kedir et al.
Rajalakshmanan Eswaramoorthy et al.
Introduction: In modern drug design, in silico methods are largely used to understand drug-receptor interactions and quantum chemical properties. In the present study, a computational de novo design approach was used to c...
Transcriptome Analysis of Pseudomonas aeruginosa Biofilm Following the Exposure to Malaysian Stingless Bee Honey [0.03%]
马来西亚无刺蜂蜂蜜处理后绿脓杆菌生物被膜的转录组分析
Nesrin Seder,Mohd Hilmi Abu Bakar,Walid Salem Abu Rayyan
Nesrin Seder
Introduction: Malaysian stingless bee honey (Trigona) has been aroused as a potential antimicrobial compound with antibiofilm activity. The capability of the gram-negative bacillus P. aeruginosa to sustain a fatal infecti...
Developing a Kinase-Specific Target Selection Method Using a Structure-Based Machine Learning Approach [0.03%]
基于结构的机器学习方法开发激酶特异性靶点选择模型
Arina Afanasyeva,Chioko Nagao,Kenji Mizuguchi
Arina Afanasyeva
Introduction: Despite recent advances in the drug discovery field, developing selective kinase inhibitors remains a complicated issue for a number of reasons, one of which is that there are striking structural similaritie...
Current Challenges and Opportunities in Designing Protein-Protein Interaction Targeted Drugs [0.03%]
当前蛋白质-蛋白质相互作用靶向药物设计的挑战与机遇
Woong-Hee Shin,Keiko Kumazawa,Kenichiro Imai et al.
Woong-Hee Shin et al.
It has been noticed that the efficiency of drug development has been decreasing in the past few decades. To overcome the situation, protein-protein interactions (PPIs) have been identified as new drug targets as early as 2000. PPIs are more...
Structural and Molecular Docking Analytical Studies of the Predicted Ligand Binding Sites of Cadherin-1 in Cancer Prognostics [0.03%]
cadherin-1在癌症预后中预测的配体结合位点的结构和分子对接分析研究
Olalekan Olanrewaju Bakare,Adewale Oluwaseun Fadaka,Marshall Keyster et al.
Olalekan Olanrewaju Bakare et al.
Introduction: Several studies have explored the design of antimicrobial peptides (AMPs) for the development of therapeutic and diagnostic molecules for the treatment and identification of pathogenic diseases as well as ca...
Cytotoxicity Of Chalcone Of Eugenia aquea Burm F. Leaves Against T47D Breast Cancer Cell Lines And Its Prediction As An Estrogen Receptor Antagonist Based On Pharmacophore-Molecular Dynamics Simulation [0.03%]
叶下珠叶黄酮对T47D乳腺癌细胞系的细胞毒性及其作为雌激素受体拮抗剂的药效团-分子动力学模拟预测
Muchtaridi Muchtaridi,Muhammad Yusuf,Hasna Nur Syahidah et al.
Muchtaridi Muchtaridi et al.
Background: The 2',4'-dihydroxy-6-methoxy-3,5-3-dimethylchalcone (ChalcEA) isolated from Eugenia aquea Burm f. leaves has potential anticancer activity against human breast-adenocarcinoma cell lines (MCF-7) with an IC50 v...