Investigation of natural compounds as methyltransferase inhibitors against dengue virus: an in silico approach [0.03%]
天然化合物作为登革热病毒甲基转移酶抑制剂的研究：一种计算机模拟方法
Mohd Imran,Abida,Nawaf M Alotaibi et al.
Mohd Imran et al.
The global challenge posed by Dengue virus (DENV) infection persists, exacerbated by the absence of specific antiviral therapies. The viral methyltransferase (MTase) enzyme, crucial for viral RNA methylation and immune system evasion, has e...
AI-driven covalent drug design strategies targeting main protease (mpro) against SARS-CoV-2: structural insights and molecular mechanisms [0.03%]
针对SARS-CoV-2主蛋白酶(mpro)的AI驱动的共价药物设计策略：结构见解和分子机制
Mohammad Hossein Haghir Ebrahim Abadi,Abdulrahman Ghasemlou,Fatemeh Bayani et al.
Mohammad Hossein Haghir Ebrahim Abadi et al.
The emergence of new SARS-CoV-2 variants has raised concerns about the effectiveness of COVID-19 vaccines. To address this challenge, small-molecule antivirals have been proposed as a crucial therapeutic option. Among potential targets for ...
In silico screening of phytoconstituents as potential anti-inflammatory agents targeting NF-κB p65: an approach to promote burn wound healing [0.03%]
针对NF-κB p65的植物成分作为潜在抗炎剂的计算机辅助筛选：促进烧伤愈合的方法
Saswati Pattnaik,Sneha Murmu,Bibhu Prasad Rath et al.
Saswati Pattnaik et al.
Chronic burn wounds are frequently characterised by a prolonged and dysregulated inflammatory phase that is mediated by over-activation of NF-κB p65. Synthetic wound healing drugs used for treatment of inflammation are primarily associated...
Computer aided aptamer selection for fabrication of electrochemical sensor to detect Aflatoxin B1 [0.03%]
计算机辅助的配体筛选用于制造检测B1黄曲霉素的电化学生物传感器
Misgana Mengistu Asmare,Chandran Krishnaraj,Sivaprakasam Radhakrishnan et al.
Misgana Mengistu Asmare et al.
Aflatoxin B1 (AFB1) is a naturally occurring toxin produced by Aspergillus flavus and Aspergillus parasiticus. The AFB1 is classified as a potent carcinogen and poses significant health risks both to humans and animals. Early detection of t...
Multistage in silico approach to identify novel quinoline derivatives as potential c-kit kinase inhibitors [0.03%]
多阶段的计算方法来识别新型喹啉衍生物作为潜在的c-kit激酶抑制剂
Shankar Gupta,Moumita Saha,Rajveer Singh et al.
Shankar Gupta et al.
The type II-C-KIT signaling network has been extensively studied for its potential as a target for cancer treatment, leading to the investigation of quinoline derivatives as compounds with inhibitory effects on c-Kit kinase. In this study, ...
Targeting PDE4A for therapeutic potential: exploiting drug repurposing approach through virtual screening and molecular dynamics [0.03%]
针对PDE4A的治疗潜能研究：通过虚拟筛选和分子动力学探索药物新用途的方法
Anas Shamsi,Mohd Shahnawaz Khan,Nojood Altwaijry et al.
Anas Shamsi et al.
cAMP-specific 3',5'-cyclic phosphodiesterase 4 A (PDE4A) holds a pivotal role in modulating intracellular levels of cyclic adenosine monophosphate (cAMP). Targeting PDE4A with novel therapeutic agents shows promise in addressing neurologica...
Network pharmacology and molecular dynamic simulation integrated strategy for the screening of active components and mechanisms of phytochemicals from Datura innoxia on Alzheimer and cognitive decline [0.03%]
网络药理学和分子动力学模拟整合策略筛选毛曼陀罗植物化学成分在阿尔茨海默病及认知功能下降中的活性成分及机制
Mubarak A Alamri,Muhammad Tahir Ul Qamar
Mubarak A Alamri
Alzheimer's disease (AD) ranks as the most prevalent neurodegenerative disorder with dementia and it accounts for more than 70% of all cases. Despite extensive reporting on the experimental investigation of Datura innoxia (DI) and its phyto...
Immunoinformatics-driven approach for development of potential multi-epitope vaccine against the secreted protein FlaC of Campylobacter jejuni [0.03%]
针对弯曲杆菌分泌蛋白FlaC开发潜在多表位疫苗的免疫信息学驱动方法
Deepak Saravanan,Monisha Mohan
Deepak Saravanan
Campylobacter jejuni causes a leading human gastrointestinal infection which is associated with foodborne diarrhea, stomach cramping, and fever. In the recent years, numerous multidrug-resistant strains of C. jejuni has evolved and is consi...
Hist-i-fy-a multiple histidine post-translational-modification (PTM) prediction server based on protein sequences using convolution neural network: a case study on mass spectroscopy data [0.03%]
Hist-i-fy-一个基于卷积神经网络通过蛋白质序列预测多组组蛋白翻译后修饰（PTM）的服务器：一个关于质量谱数据的应用案例
Dibyansu Diptiman,Abhishek Jalan,Rishabh Pal et al.
Dibyansu Diptiman et al.
Computational characterization of multiple Histidine (His) post-translational-modifications (PTM) at enzyme active sites complements tedious experimental characterization in proteins-of-unknown-functions (PUFs) and domain-of-unknown-functio...
Virtual screening and molecular dynamics investigations using natural compounds against autotaxin for the treatment of chronic pain [0.03%]
虚拟筛选和使用天然化合物针对自分泌神经营养因子进行分子动力学研究以治疗慢性疼痛
Akhilesh,Arjun Menon,Somesh Agrawal et al.
Akhilesh et al.
Chronic pain is a common and debilitating condition with a huge social and economic burden worldwide. Currently, available drugs in clinics are not adequately effective and possess a variety of severe side effects leading to treatment withd...