Results 191 to 200 of about 59,986 (298)

Prediction of Blood-Brain Barrier Penetration (BBBP) Based on Molecular Descriptors of the Free-Form and In-Blood-Form Datasets. [PDF]

Molecules, 2021
Sakiyama H, Fukuda M, Okuno T.
europepmc   +1 more source

Advanced QSPR modeling of profens using machine learning and molecular descriptors for NSAID analysis. [PDF]

Sci Rep
Ahmed WE, Hanif MF, Siddiqui MK, Gegbe B.   +3 more
europepmc   +1 more source

Prediction of Anti-Glioblastoma Drug-Decorated Nanoparticle Delivery Systems Using Molecular Descriptors and Machine Learning. [PDF]

Int J Mol Sci, 2021
Munteanu CR, Gutiérrez-Asorey P, Blanes-Rodríguez M, Hidalgo-Delgado I, Blanco Liverio MJ, Castiñeiras Galdo B, Porto-Pazos AB, Gestal M, Arrasate S, González-Díaz H.   +9 more
europepmc   +1 more source

E2A selectively regulates TGF‐β–induced apoptosis in KRAS‐mutant non‐small cell lung cancer

Molecular Oncology, EarlyView.
Ability to induce apoptosis by TGF‐β is frequently lost in advanced lung adenocarcinoma despite intact TGF‐β signaling. We identify E2A as a mutant KRAS–dependent mediator of resistance to TGF‐β–induced apoptosis. TGF‐β induces E2A via SMAD3 in mutant KRAS cells, and E2A silencing restores apoptosis and enhances radiation response in cell lines ...
Sergei Chuikov, Shiva Krishna Katkam, Zhefan Wang, Venkateshwar G. Keshamouni   +3 more
wiley   +1 more source

Computational measures of irregularity molecular descriptors of octahedral and icosahedral networks. [PDF]

Front Chem
Zhang X, Ur Rehman HM, Munir MM.
europepmc   +1 more source

Neighborhood degree sum-based molecular descriptors of fractal and Cayley tree dendrimers. [PDF]

Eur Phys J Plus, 2021
Mondal S, De N, Pal A.
europepmc   +1 more source

CD47 promotes mitogen‐activated protein kinase and epithelial‐to‐mesenchymal transition molecular programs to drive prometastatic phenotypes in non‐small cell lung cancer

Molecular Oncology, EarlyView.
Beyond its role in immune evasion, this study identified that CD47 drives tumor‐intrinsic signaling in non‐small cell lung cancer (NSCLC). Transcriptomic profiling and functional studies revealed that CD47 regulates cell adhesion, migration, and metastasis through an ERK–EMT signaling axis.
Asa P.Y. Lau, Lilian G. Zhai, Ryunosuke Hoshi, Zackary Rousseau, Abraam Zakhary, Yin Fang Wu, Rola M. Saleeb, Heyu Ni, Kelsie L. Thu   +8 more
wiley   +1 more source

Seeking Correlation Among Porin Permeabilities and Minimum Inhibitory Concentrations Through Machine Learning: A Promising Route to the Essential Molecular Descriptors. [PDF]

Molecules
Boi S, Puxeddu S, Delogu I, Farci D, Piano D, Manzin A, Ceccarelli M, Angius F, Scorciapino MA, Milenkovic S.   +9 more
europepmc   +1 more source

Combining machine learning and quantum mechanics yields more chemically aware molecular descriptors for medicinal chemistry applications. [PDF]

J Comput Chem, 2021
Tortorella S, Carosati E, Sorbi G, Bocci G, Cross S, Cruciani G, Storchi L.   +6 more
europepmc   +1 more source

KDM7A and KDM1A inhibition suppresses tumour promoting pathways in prostate cancer

Molecular Oncology, EarlyView.
Treatment resistance is a major challenge for patients with advanced prostate cancer. This study examined an alternative approach to target the major prostate cancer‐promoting pathway by targeting epigenetic factors, whose levels are higher in tumours.
Jennie N Jeyapalan, Veronika M Metzler, Simone de Brot, Corinne L Woodcock, Anna E Harris, Jennifer Lothion‐Roy, Emeli M Nilsson, Atara Ntekim, Michael S Toss, Jenny L Persson, Francesca Khani, Brian D Robinson, Lorraine J Gudas, Emad Rakha, David M Heery, Catrin S Rutland, Nigel P Mongan   +16 more
wiley   +1 more source