Myristoylated GRASP55 dimerizes in the presence of model membranes [0.03%]
肉豆蔻酰化的GRASP55在模型膜存在的情况下二聚化
Emanuel Kava,Carolina V Garbelotti,José Luiz S Lopes et al.
Emanuel Kava et al.
The Golgi Reassembly and Stacking Proteins (GRASPs) are engaged in various functions within the cell, both in unconventional secretion mechanisms and structuring and organizing the Golgi apparatus. Understanding their specific role in each ...
The design of TOPK inhibitors using similarity search, molecular docking, and MD simulations [0.03%]
利用相似性搜索、分子对接和MD模拟设计TOPK抑制剂
Nizar A Al-Shar&#x;i
Nizar A Al-Shar&#x;i
Cancer is still a major cause of death worldwide. Unfortunately, the majority of current anticancer treatments suffer many limitations, mainly emergence of resistance and lack of selectivity which necessitate the search for new therapeutics...
Identification of potential focal adhesion kinase (FAK) inhibitors: a molecular modeling approach [0.03%]
潜在的焦黏附激酶(FAK)抑制剂的识别：分子建模方法
Sahaya Nadar,Maheshkumar R Borkar,Tabassum Khan
Sahaya Nadar
Focal adhesion kinase (FAK) is an enzyme of paramount importance as it is involved in several critical roles, which are linked to proliferation of cancer cells. FAK is quintessential for cancer cell mitigation, adhesion and survival, downre...
Association of epilepsy and neurological impairments with homozygous recessive missense mutations found in the genes responsible for ganglioside biosynthesis (ST3GAL5) and calcium voltage-gated channels (CACNA1H) - insights through molecular dynamic simulations [0.03%]
癫痫和神经功能障碍与负责神经节苷脂生物合成(ST3GAL5)和钙电压门控通道(CACNA1H)的基因中发现的纯合隐性错义突变的关联-通过分子动力学模拟获得的见解
Rizwan Abid,Haseeb Nisar,Safee Ullah Chaudhary et al.
Rizwan Abid et al.
With over 2.2 million cases, the incidence rate of epilepsy in Pakistan is far higher than the rest of the world due primarily to the frequent, traditionally imposed cousin marriages. In the present study, comprehensive whole exome sequenci...
A network pharmacology, molecular docking and in vitro investigation of Picrorhiza kurroa extract for the treatment of diabetic nephropathy [0.03%]
网络药理学，分子对接和体外实验对研究Picrorhiza kurroa提取物在糖尿病性肾病治疗中的应用
Shiv Pal,Manoj Limbraj Yellurkar,Pamelika Das et al.
Shiv Pal et al.
Picrorhiza kurroa Royle ex Benth. (P. kurroa/PK/Kutki), a Himalayan herb belonging to the family Scrophulariaceae, is widely known for its hepatoprotective activity. Traditionally, it is found to be effective for upper respiratory tract dis...
Exploring promising natural compounds for breast cancer treatment: in silico molecular docking targeting WDR5-MYC protein interaction [0.03%]
探索有前景的天然化合物用于乳腺癌治疗：基于计算机模拟分子对接技术针对WDR5-MYC蛋白相互作用的研究
Amka Nagar,Amit Dubey,Ankur Sharma et al.
Amka Nagar et al.
Cancer is an aberrant differentiation of normal cells, characterized by uncontrolled growth and the potential to acquire invasive and aggressive properties that ultimately lead to metastasis. In the realm of scientific exploration, a multit...
Scaffold hopping for designing of potent and selective CYP1B1 inhibitors to overcome docetaxel resistance: synthesis and evaluation [0.03%]
为了克服多西他赛耐药而设计高效且选择性的CYP1B1抑制剂的跳板策略：合成与评价
Baddipadige Raju,Gera Narendra,Himanshu Verma et al.
Baddipadige Raju et al.
Cytochrome P450 1B1, a tumor-specific overexpressed enzyme, significantly impairs the pharmacokinetics of several commonly used anticancer drugs including docetaxel, paclitaxel and cisplatin, leading to the problem of resistance to these dr...
Haplotype analysis, regulatory elements and docking simulation of structural models of different AT3 copies in the genus Capsicum [0.03%]
不同甜椒品种中AT3拷贝的单倍型分析、调控元件及结构模型对接模拟研究
Eduardo Burgos-Valencia,Ileana Echevarría-Machado,Gustavo Ortega-Lule et al.
Eduardo Burgos-Valencia et al.
Capsaicinoids are responsible for the pungency in Capsicum species. These are synthesized by the Capsaicin synthase (CS) encoded by the AT3 gene, which catalyzes the transference of an acyl moiety from a branched-chain fatty acid-CoA ester ...
Design of novel isoxazole derivatives as tubulin inhibitors using computer-aided techniques: QSAR modeling, in silico ADMETox, molecular docking, molecular dynamics, biological efficacy, and retrosynthesis [0.03%]
利用计算机辅助技术设计新颖的异恶唑衍生物作为微管抑制剂：QSAR建模，体外ADME毒理学，分子对接，分子动力学，生物学功效和逆合成分析
Youness Moukhliss,Yassine Koubi,Imran Zafar et al.
Youness Moukhliss et al.
In the current work, computational methods were used to investigate new isoxazole derivatives that could be used as tubulin inhibitors. The study aims to develop a reliable quantitative structure-activity relationship (QSAR) model, followin...
Sequence-based prediction of the effects of histones H1 post-translational modifications: impact on the features related to the function [0.03%]
组蛋白H1翻译后修饰效应的序列预测：对功能相关特征的影响
Andrzej Kowalski
Andrzej Kowalski
Post-translational modifications modulate histones H1 activity but their impact on proteins features was not studied so far. Therefore, this work was intended to answer how the most common modifications, i.e. acetylation, methylation, phosp...