Results 191 to 200 of about 452,634 (352)

Molecular mechanism of Dang-Shen-Yu-Xing decoction against Mycoplasma bovis pneumonia based on network pharmacology, molecular docking, molecular dynamics simulations and experimental verification

Frontiers in Veterinary Science
Mycoplasma bovis pneumonia is a highly contagious respiratory infection caused by Mycoplasma bovis. It is particularly prevalent in calves, posing a significant threat to animal health and leading to substantial economic losses.
Mengmeng Yang, Mengmeng Yang, Mengmeng Yang, Fei Yang, Fei Yang, Yanan Guo, Fan Liu, Yong Li, Yanrong Qi, Lei Guo, Shenghu He   +10 more
doaj   +1 more source

Comparison of Molecular Docking and Molecular Dynamics Simulations of 1,3-Thiazin-4-One with MDM2 Protein [PDF]

, 2015
S. Anand, Chitra Loganathan, K. Saravanan, S. Kabilan   +3 more
openalex   +1 more source

In Silico Screening of Natural Products as Potential Inhibitors of SARS-CoV-2 Using Molecular Docking Simulation. [PDF]

Chin J Integr Med, 2022
Hossain R, Sarkar C, Hassan SMH, Khan RA, Arman M, Ray P, Islam MT, Daştan SD, Sharifi-Rad J, Almarhoon ZM, Martorell M, Setzer WN, Calina D.   +12 more
europepmc   +1 more source

Robust Controlled Degradation of Enzyme Loaded PCL‐Based Fibrous Scaffolds Toward Scarless Skin Tissue Regeneration

Advanced Science, EarlyView.
A novel biodegradable wound dressing (E‐PCLs) based on polycaprolactone (PCL) and an enzyme complex (RHP‐BCL) is developed using a fiber microfluidic electrospinning technique. The dressing achieves complete degradation within 14 days, eliminates microplastic residues, and promotes scar‐free healing (99% in 21 days).
Lingling Fan, Weiliang Dong, Jianqi Lu, Yujia Peng, Bin Xie, Ping Wei, Min Jiang, Su Chen   +7 more
wiley   +1 more source

2P-003 Theoretical investigation of enzymatic reaction mechanism by molecular docking and QM/MM-MD simulations(The 46th Annual Meeting of the Biophysical Society of Japan)

, 2008
Yohsuke Hagiwara, Osamu Nureki, Masaru Tateno   +2 more
openalex   +2 more sources

Molecular Docking Simulation Studies Identifies Potential Natural Product Derived-Antiwolbachial Compounds as Filaricides against Onchocerciasis. [PDF]

Biomedicines, 2021
Kwofie SK, Broni E, Yunus FU, Nsoh J, Adoboe D, Miller WA, Wilson MD.   +6 more
europepmc   +1 more source

Identification and Application of a Novel Patulin Degrading Enzyme From Meyerozyma guilliermondii

Advanced Science, EarlyView.
Patulin (PAT), a hazardous mycotoxin, threatens human health. A novel yeast‐derived short‐chain dehydrogenase/reductase effectively degrades PAT into nontoxic ascladiol via catalytic triad activity. The biological detoxification process has no significant effect on the quality of fresh pear juice.
Yu Zhang, Qianhua Zhao, Solairaj Dhanasekaran, Esa Abiso Godana, Yue Zhang, Xue Bai, Qiya Yang, Hongyin Zhang   +7 more
wiley   +1 more source

DeltaDock: A Unified Framework for Accurate, Efficient, and Physically Reliable Molecular Docking [PDF]

arXiv
Molecular docking, a technique for predicting ligand binding poses, is crucial in structure-based drug design for understanding protein-ligand interactions. Recent advancements in docking methods, particularly those leveraging geometric deep learning (GDL), have demonstrated significant efficiency and accuracy advantages over traditional sampling ...
arxiv  

High-Performance Drug Discovery: Computational Screening by Combining Docking and Molecular Dynamics Simulations

, 2009
Noriaki Okimoto, Noriyuki Futatsugi, Hideyoshi Fuji, Atsushi Suenaga, Gentaro Morimoto, Ryoko Yanai, Yousuke Ohno, Tetsu Narumi, Makoto Taiji   +8 more
openalex   +2 more sources

Testosterone Delays Bone Microstructural Destruction via Osteoblast‐Androgen Receptor‐Mediated Upregulation of Tenascin‐C

Advanced Science, EarlyView.
This study reveals that Testosterone–Androgen Receptor signaling delays elderly male bone destruction by upregulation of the osteoblastic extracellular tenascin‐C (TNC). The osteoprotective effect of fibrinogen C‐terminus of TNC is demonstrated in male osteoporotic mice model that osteoblast‐specific Ar‐knockout, potentially via inhibition of ...
Yong Xie, Meng Pan, Zeyuan Zhang, Licheng Zhang, Haotian Liu, Xia Wang, William W Lu, Peifu Tang, Wei Ge   +8 more
wiley   +1 more source