Results 31 to 40 of about 1,782,190 (315)

Uncertainty quantification in drug design

, 2021
Machine learning and artificial intelligence are increasingly being applied to the drug-design process as a result of the development of novel algorithms, growing access, the falling cost of computation and the development of novel technologies for ...
Engkvist, Ola, Semenova, Elizaveta,, Giblin, Kathryn A., Mervin, Lewis H., Semenova, Elizaveta, Johansson, Simon, Engkvist, Ola,, Mervin, Lewis H.,, Giblin, Kathryn A.,, Johansson, Simon,   +9 more
core   +1 more source

Akt1 inhibition promotes breast cancer metastasis through EGFR-mediated β-catenin nuclear accumulation

Cell Communication and Signaling, 2018
Background Knockdown of Akt1 promotes Epithelial-to-Mesenchymal Transition in breast cancer cells. However, the mechanisms are not completely understood.
Wei Li, Jiu-Zhou Hou, Jie Niu, Zhuo-Qing Xi, Chang Ma, Hua Sun, Chao-Jie Wang, Dong Fang, Qin Li, Song-Qiang Xie   +9 more
doaj   +1 more source

Stapled Peptides Inhibitors: A New Window for Target Drug Discovery

Computational and Structural Biotechnology Journal, 2019
Protein-protein interaction (PPI) is a hot topic in clinical research as protein networking has a major impact in human disease. Such PPIs are potential drugs targets, leading to the need to inhibit/block specific PPIs.
Ameena M. Ali, Jack Atmaj, Niels Van Oosterwijk, Matthew R. Groves, Alexander Dömling   +4 more
doaj   +1 more source

Revolutionizing Drug Design with Artificial Intelligence: A Comprehensive Review of Techniques, Applications, and Case Studies [PDF]

, 2023
Introduction: Artificial intelligence (AI) has the potential to revolutionize drug design and discovery by significantly reducing the time and costs involved in developing new drugs.
Noopur Verma, Varun Pareek, Lokendra Sharma, Lakshya Tuteja, Susheel Kumar   +4 more
core   +1 more source

European Standard Clinical Practice Guideline and EXPeRT Recommendations for the Diagnosis and Management of Gastroenteropancreatic Neuroendocrine Neoplasms in Children and Adolescents

Pediatric Blood &Cancer, EarlyView.
ABSTRACT Pediatric gastroenteropancreatic neuroendocrine neoplasms (GEP‐NENs) are extremely rare and clinically heterogeneous. Management has largely been extrapolated from adult practice. This European Standard Clinical Practice Guideline (ESCP), developed by the EXPeRT network in collaboration with adult NEN experts, provides (adult) evidence ...
Michaela Kuhlen, Calogero Virgone, Antje Redlich, Michael Abele, Ricardo Lopez‐Almaraz, Tal Ben‐Ami, Ewa Bien, Gianni Bisogno, Maja Mazic Cesen, Andrea Ferrari, Malgorzata A. Krawczyk, Yves Reguerre, Dominik T. Schneider, Ines B. Brecht, Charlotte Rigaud, Bilgehan Yalcin, Rainer Claus, Christian Vokuhl, Constantin Lapa, Jörg Fuchs, Segolene Hescot, Thomas Walter, Julien Hadoux, Daniel Orbach   +23 more
wiley   +1 more source

Structural, medicinal, and toxicological study of cephalosporin degradation products: a DFT and in-silico approach

Discover Chemistry
Introduction β-Lactam antibiotics like the Cephalosporins (CPS) continue in their application for several different infections caused by bacteria. The potential degradants of antibiotics, generated through different degradation pathways, may exhibit ...
Al-Masum Hossain, Kazi MD Sakib Hassan, Pritu Dey, Farhana Mansoor Priya, Md. Mahmudul Hasan, Md. Liton Hossain, Monir Uzzaman   +6 more
doaj   +1 more source

Health‐Related Quality of Life and Symptom Severity Among Patients With PIK3CA‐Related Overgrowth Spectrum: A Mixed‐Methods Study to Understand Real‐World Experience With Alpelisib Treatment

Pediatric Blood &Cancer, EarlyView.
ABSTRACT Background PIK3CA‐related overgrowth spectrum (PROS) includes several rare overgrowth disorders resulting from somatic gain‐of‐function mutations in PIK3CA. Despite treatment advances, including the recent approval of alpelisib for PROS in the United States, literature detailing the patient experience with PROS is limited.
Vamsi Bollu, Kaitlin LaGasse, Cory D. Saucier, Kimberly Raymond, Miranda Lauher‐Charest, Lauren Crowder, Beilei Cai, Mary Lisha Paul, Denise Adams   +8 more
wiley   +1 more source

Drug design and in-silico study of 2-alkoxylatedquinoline-3-carbaldehyde compounds: Inhibitors of Mycobacterium tuberculosis

Scientific African
Tuberculosis (TB) caused by Mycobacterium tuberculosis (MTB) is a deadly communicable disease that frequently affects the lungs. Current treatment protocols are bedeviled by extensive drug-resistant (XDR) and the evolution of multidrug-resistant (MDR-TB)
Oluwafemi S. Aina, Mujeeb O. Rofiu, Oluwakemi A. Oloba-Whenu, Idris A. Olasupo, Luqman A. Adams, Oluwole B. Familoni   +5 more
doaj   +1 more source

Computer-Aided Drug Design for AMP-Activated Protein Kinase Activators

, 2011
AMP-activated protein kinase (AMPK) is an important therapeutic target for the potential treatment of metabolic disorders, cardiovascular disease and cancer.
Yu, Hui, Zhang, Liangren, Zhou, Lishe, Hongwei Jin, Yongfu Wang, Zhanli Wang, Sun, Lidan, Jianxin Huo, Lishe Zhou, Huo, Jianxin, Wang, Zhanli, Wang, Yongfu, Hui Yu, Liangren Zhang, Jin, Hongwei, Lidan Sun   +15 more
core   +1 more source

Hospitalization Through Families’ Eyes: Comparing Inpatient Care Quality for Children With Sickle Cell Disease and Cystic Fibrosis in Canada

Pediatric Blood &Cancer, EarlyView.
ABSTRACT Background Sickle cell disease (SCD) is a chronic, inherited hemoglobinopathy that requires frequent hospitalization for disease‐related complications. Canadian data on inpatient care is limited. This study compared caregiver‐reported hospital experiences of children with SCD to those with cystic fibrosis (CF), a chronic, autosomal recessive ...
Hailey M. Zwicker, Kyle Kemp, Perri Tutelman, Sharon H. J. Hou, Paul Fairie, Maria Santana, Gregory M. T. Guilcher, Taryn Fay‐McClymont, Glenda Bendiak, Wendy Pelletier, Nicola Wright, Fiona Schulte   +11 more
wiley   +1 more source