Results 161 to 170 of about 449,170 (361)

Molecular investigation of antimicrobial peptides against Helicobacter pylori proteins using a peptide-protein docking approach

Heliyon
The impact of H. pylori resistance on patient's treatment failure is a major concern. Therefore, the development of novel or alternative therapies for H. pylori is urgently needed.
Alfizah Hanafiah, Siti Nur Arifah Abd Aziz, Zarith Nameyrra Md Nesran, Xavier Chee Wezen, Mohd Fadzli Ahmad   +4 more
doaj  

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

Tanshinone-I for the treatment of uterine fibroids: Molecular docking, simulation, and density functional theory investigations. [PDF]

Saudi Pharm J, 2023
Tiwari A, Tiwari V, Sharma A, Singh D, Singh Rawat M, Virmani T, Virmani R, Kumar G, Kumar M, Alhalmi A, Noman OM, Mothana RA, Alali M.   +12 more
europepmc   +1 more source

PIEZO1‐GPX4 Axis Mediates Mechanical Stress‐Induced Vertebral Growth Plate Dysplasia via Ferroptosis Activation

Advanced Science, EarlyView.
Mechanical stress activates PIEZO1 in vertebral growth plate chondrocytes, triggering ferroptosis through direct binding and inhibition of GPX4. This axis promotes lipid peroxidation and pathological ossification, accelerating spinal deformities. Clinical and genetic evidence (Piezo1‐cKO) confirms its role in scoliosis progression.
Fei Chen, Fushuai Peng, Shuqing Chen, Yukun Du, Jianyi Li, Yuanyuan Fan, Zichen Cui, Guanghui Gu, Han Zhang, Zhensong Jiang, Guodong Wang, Xingzhi Jing, Jun Dong, Tao Li, Yongming Xi   +14 more
wiley   +1 more source

Computational modeling of human coreceptor CCR5 antagonist as a HIV-1 entry inhibitor: using an integrated homology modeling, docking, and membrane molecular dynamics simulation analysis approach [PDF]

, 2012
Changdev G. Gadhe, Gugan Kothandan, Seung Joo Cho   +2 more
openalex   +1 more source

ATF3 Deficiency Exacerbates Ageing‐Induced Atherosclerosis and Clinical Intervention Strategy

Advanced Science, EarlyView.
Targeting ATF3 with terazosin to against VSMC Senescence and atherosclerosis. TZ reduces the binding affinity of YTHDF2 to Atf3 mRNA, while enhancing mRNA stability. ATF3 promotes Atg7 transcription, enhancing autophagy. ATG7 binds to ATF3 in the cytoplasm, facilitating ATF3 translocation to the nucleus and establishing positive feedback. By modulating
Hao Nie, Tianyi Ji, Zixin Wan, Jie Huang, Han Li, Lingjiao Zou, Zhen Yang, Jiarui Li, Yuqi Guan, Lei Ruan, Jinhua Yan, Cuntai Zhang   +11 more
wiley   +1 more source

Subtractive proteomics-based vaccine targets annotation and reverse vaccinology approaches to identify multiepitope vaccine against Plesiomonas shigelloides

Heliyon
Plesiomonas shigelloides, an aquatic bacterium belonging to the Enterobacteriaceae family, is a frequent cause of gastroenteritis with diarrhea and gastrointestinal severe disease.
Danish Rasool, Sohail Ahmad Jan, Sumra Umer Khan, Nazia Nahid, Usman Ali Ashfaq, Ahitsham Umar, Muhammad Qasim, Fatima Noor, Abdur Rehman, Kiran Shahzadi, Abdulrahman Alshammari, Metab Alharbi, Muhammad Atif Nisar   +12 more
doaj  

Agonistic effect of polyunsaturated fatty acids (PUFAs) and its metabolites on brain-derived neurotrophic factor (BDNF) through molecular docking simulation [PDF]

, 2012
Umashankar Vetrivel, Sathyabaarathi Ravichandran, Kaviarasan Kuppan, Jithu Mohanlal, Undurti N. Das, Narayanasamy Angayarkanni   +5 more
openalex   +1 more source

Comprehensive Characterization of the Immune Microenvironment Based on Nested Resampling Machine Learning Framework Identifies TRAF3 Interacting Protein 3 as a Promising Regulator to Improve the Resistance to Immunotherapy in Glioma

Advanced Science, EarlyView.
This study develops a nested resampling machine learning framework to establish the Immune Glioma Survival Signature (IGLoS), which stratifies glioma patients and predicts immunotherapy resistance. Multi‐omics analyses reveal TRAF3IP3 as a pivotal regulator of PD‐L1 expression and T‐cell exhaustion via ERK‐NFATC2 signaling.
Yanbo Yang, Fei Wang, Yulian Zhang, Run Huang, Chuanpeng Zhang, Lu Zhao, Hanhan Dang, Xinyu Tao, Yue Lu, Dengfeng Lu, Yunsheng Zhang, Kun He, Jiancong Weng, Zhouqing Chen, Zhong Wang, Yanbing Yu   +15 more
wiley   +1 more source

New Organotin (IV) Compounds Derived from Dehydroacetic Acid and Thiosemicarbazides: Synthesis, Rational Design, Cytotoxic Evaluation, and Molecular Docking Simulation. [PDF]

Bioinorg Chem Appl, 2023
Gómez E, Galván-Hidalgo JM, Pérez-Cuéllar G, Huerta-Landa KA, González-Hernández A, Gómez-García O, Andrade-Pavón D, Ramírez-Apan T, Rodríguez Hernández KD, Hernández S, Cano-Sánchez P, Gómez-Velasco H.   +11 more
europepmc   +1 more source