Results 181 to 190 of about 449,170 (361)

Simulating molecular docking with haptics

, 2015
Intermolecular binding underlies various metabolic and regulatory processes of the cell, and the therapeutic and pharmacological properties of drugs. Molecular docking systems model and simulate these interactions in silico and allow the study of the binding process.
openaire   +1 more source

The Multitarget Compound ZLY032 Achieves Treatment of Chronic Wounds

Advanced Science, EarlyView.
ZLY032, a dual free fatty acid receptor 1/peroxisome proliferator‐activated receptor δ agonist, accelerates wound healing in normal/diabetic/methicillin‐resistant Staphylococcus aureus‐infected models by promoting angiogenesis, reducing inflammation, and exhibiting antibacterial activity via argininosuccinate lyase targeting, with demonstrated efficacy
Manyu Gong, Zhiyuan Du, Tiantian Gong, Yu Wang, Chenchen Yin, Bosi Sun, Zijia Liu, Lianru Chen, Zibin Liao, Wenxin Wang, Tianjiao Zhao, Yifei Wang, Ying Dong, Kexin Wang, Mengru Ma, Weijun Li, Jiacheng Li, Haodong Li, Congcong Lin, Ying Zhang, Yu Liu, Xin Liu, Tao Ban, Hongxia Bao, Ying Zhang, Yang Zhang, Zheng Li, Lei Jiao   +27 more
wiley   +1 more source

Exploring the potential of phytoconstituents from Phaseolus vulgaris L against C-X-C motif chemokine receptor 4 (CXCR4): a bioinformatic and molecular dynamic simulations approach

Egyptian Journal of Medical Human Genetics
Introduction The CXCR4 chemokine receptor is a G protein-coupled receptor that plays a role in many physiological processes and diseases, such as cancer metastasis, HIV infection, and immune response.
Cesarius Singgih Wahono, Mokhamad Fahmi Rizki Syaban, Mirza Zaka Pratama, Perdana Aditya Rahman, Nabila Erina Erwan   +4 more
doaj   +1 more source

Homology modeling and molecular docking simulation of martentoxin as a specific inhibitor of the BK channel. [PDF]

Ann Transl Med, 2022
Yang C, Yang Z, Tong K, Wang J, Yang W, Yu R, Jiang F, Ji Y.   +7 more
europepmc   +1 more source

1P565 Molecular dynamics simulations of association and docking between an inhibitor and an enzyme.(27. Molecular dynamics simulation,Poster Session,Abstract,Meeting Program of EABS & BSJ 2006)

, 2006
Hiroh Miyagawa, Kunihiro Kitamura
openalex   +2 more sources

Inhibition of RNase to Attenuate Fungal‐Manipulated Rhizosphere Microbiome and Diseases

Advanced Science, EarlyView.
Fusarium graminearum uses its virulence effector Fg12, a fungal RNase, to manipulate the host rhizosphere microbiome and promote infection. Guanosine monophosphate (GMP) blocks Fg12's RNase activity. This reveals a key pathogen‐microbiota interaction mechanism and proposes GMP as a targeted strategy to disarm this core fungal effector, offering a ...
Bo Yang, Sen Yang, Xiaomi Wang, Yuanwei Zhang, Yao Zhao, Menghuan Tao, Jinyi Zhu, Wanxin Zhang, Yansu Wang, Kaixuan Duan, Yan Wang, Wenwu Ye, Zhenfei Guo, Yuanchao Wang   +13 more
wiley   +1 more source

Decoding the therapeutic mechanism of Conocarpus lancifolius in hepatocellular carcinoma: network pharmacology, molecular docking, and LC-MS QTOF insights

Frontiers in Pharmacology
Hepatocellular carcinoma is a multifaceted and lethal malignancy, ranking third in cancer-related mortality and sixth in worldwide incidence. This study aimed to utilize LCMS-QTOF analysis to identify the phytoconstituents of C.
Poojaben M. Prajapati, Saumya K. Patel, Rakesh M. Rawal, Komal G. Lakhani, Komal G. Lakhani, Rasmieh Hamid, Bharat B. Maitreya   +6 more
doaj   +1 more source

Cytotoxic Potential of Alternaria tenuissima AUMC14342 Mycoendophyte Extract: A Study Combined with LC-MS/MS Metabolic Profiling and Molecular Docking Simulation. [PDF]

Curr Issues Mol Biol, 2022
Al Mousa AA, Abouelela ME, Abouelela ME, Hassane AMA, Al-Khattaf FS, Hatamleh AA, Alabdulhadi HS, Dahmash ND, Abo-Dahab NF.   +8 more
europepmc   +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

Targeted Intervention Strategies for Maternal–Offspring Transmission of Christensenellaceae in Pigs via a Deep Learning Model

Advanced Science, EarlyView.
This study deciphers maternal‐driven microbial transmission in pigs using a deep learning model (maternal–offspring microbial transmission model), identifying Christensenellaceae R‐7 group as a key transmitted taxon. Filtered galacto‐oligosaccharides‐targeted Christensenellaceae R‐7 group alters offspring microbial functions via maternal ...
Haibo Shen, Xiaokang Ma, Longlin Zhang, Hao Li, Jichang Zheng, Shengru Wu, Ke Zuo, Yulong Yin, Jing Wang, Bie Tan   +9 more
wiley   +1 more source