Results 171 to 180 of about 4,185,495 (377)

Effect of local shape modifications of molecular surfaces on rigid-body protein–protein docking [PDF]

, 2003
Alexander Heifetz, Miriam Eisenstein
openalex   +1 more source

Navigating the Intricacies of Molecular Docking [PDF]

Future Medicinal Chemistry, 2020
Stephan M Levonis, Stephanie S Schweiker
openaire   +2 more sources

Topoisomerase I Inhibition in ETV4‐overexpressed Non‐Small Cell Lung Cancer Promotes Replication and Transcription Mediated R‐Loop Accumulation and DNA Damage

Advanced Science, EarlyView.
The oncogenic ETS factor ETV4 exerts a pleiotropic control over DNA replication both in a transcription‐dependent and ‐independent fashion in NSCLC cells. High‐ETV4 expression leads to R‐loop formation and DNA damage in response to TOP1 inhibition.
Jiaxi Zhang, Yan Wang, Shanhu Cao, Shelly M. Xie, Bei Liu, Yimeng Li, Yuqi Hou, Xue Meng, Mingzhu Ruan, Di Bu, Jia Kang, Ruxin Li, Lei Lou, Juan Wang, Lingxiao Xing   +14 more
wiley   +1 more source

Virtual Screening of Small Molecules Targeting BCL2 with Machine Learning, Molecular Docking, and MD Simulation

Biomolecules
This study aimed to identify potential BCL-2 small molecule inhibitors using deep neural networks (DNN) and random forest (RF), algorithms as well as molecular docking and molecular dynamics (MD) simulations to screen a library of small molecules. The RF
Abtin Tondar, Sergio Sánchez-Herrero, Asim Kumar Bepari, Amir Bahmani, Laura Calvet Liñán, David Hervás-Marín   +5 more
doaj   +1 more source

Novel mesenchymal and haematopoietic cell isoforms of the SHP-2 docking receptor, PZR: identification, molecular cloning and effects on cell migration [PDF]

, 2003
Andrew C.W. Zannettino, Maria G. Roubelakis, Katie J. Welldon, Denise E. Jackson, Paul J. Simmons, Linda J. Bendall, Anthony Henniker, Kate Harrison, Silvana Niutta, Kenneth F. Bradstock, Suzanne M. Watt   +10 more
openalex   +1 more source

METTL14‐Mediated M6A Modification of LINC01094 Induces Glucose Metabolic Reprogramming in Breast Cancer by Recruiting the PKM2/JMJD5 Complex

Advanced Science, EarlyView.
METTL14/IGF2BP2‐mediated m6A modification drives LINC01094 upregulation in BC. Then, LINC01094 interacts with PKM2 monomers to promote their dimerization, while serving as a flexible scaffold to facilitate the assembly of the PKM2/JMJD5 complex, synergistically stabilizing PKM2 dimers and enhancing their nuclear translocation.
Mengqi Wang, Zhaoxin Gao, Ruinan Zhao, Pan Zhou, Jingxi Chen, Hui Zhang, Yawen Wang, Wenjie Zhu, Peng Gao   +8 more
wiley   +1 more source

Heterogeneous biomedical database integration using a hybrid strategy: a p53 cancer research database. [PDF]

, 2006
Complex problems in life science research give rise to multidisciplinary collaboration, and hence, to the need for heterogeneous database integration. The tumor suppressor p53 is mutated in close to 50% of human cancers, and a small drug-like molecule ...
Bichutskiy, Vadim Y, Brachmann, Rainer K, Colman, Richard, Lathrop, Richard H   +3 more
core  

A Molecular Docking Strategy Identifies Eosin B as a Non-active Site Inhibitor of Protozoal Bifunctional Thymidylate Synthase-Dihydrofolate Reductase [PDF]

, 2003
Chloé E. Atreya, Eric F. Johnson, John J. Irwin, Antonia Dow, Kristen M. Massimine, Isabelle Coppens, Valeska Stempliuk, Stephen M. Beverley, Keith A. Joiner, Brian K. Shoichet, Karen S. Anderson   +10 more
openalex   +1 more source

Branched‐Chain α Keto‐Acid Dehydrogenase Kinase‐Mediated AKT Phosphorylation Promotes RCC Tumorigenesis and Drug Resistance

Advanced Science, EarlyView.
This study identifies a novel oncogenic role and a previously unrecognized phosphorylation substrate of BCKDK in RCC, wherein it promotes tumor progression and drug resistance through AKT phosphorylation at both Thr308 and Ser473 sites and activation of AKT/mTOR and AKT/ABCB1 signaling pathways, offering a promising prognostic marker and therapeutic ...
Qin Tian, Jinxiang Wang, Qiji Li, Yangruiyu Liu, Yanping Chen, Jiacheng Feng, Zi‐Ning Lei, Harsh Patel, Chao‐Yun Cai, Yuzhi Xu, Chuntao Quan, Lingyan Fei, Zexiu Xiao, Shuo Fang, Tianxin Lin, Zhe‐Sheng Chen, Yuchen Liu, Leli Zeng, Yihang Pan   +18 more
wiley   +1 more source

Acod1 Promotes PAD4 Ubiquitination via UBR5 Alkylation to Modulate NETosis and Exert Protective Effects in Sepsis

Advanced Science, EarlyView.
In this study, Acod1 knockout in CLP mice significantly increases peripheral blood NET levels, exacerbating inflammation, organ damage, and reducing survival. Further research shows that UBR5 interacts with PAD4, a key NET formation protein. Acod1/itaconate (ITA) enhances the enzymatic activity of UBR5 by alkylating the Cys2768 site, promoting the K48 ...
Huifan Liu, Guoqing Jing, Shujuan Wu, Min Yuan, Yingyue Dong, Xue Chen, Huimin Zhou, Hailong Gong, Jing Zuo, Xiaojing Wu, Xuemin Song   +10 more
wiley   +1 more source