Results 51 to 60 of about 123,989 (167)

Estimation of Particle Deposition in the Airways from Different Inhaler Formulations Using an In Silico Model

KONA Powder and Particle Journal, 2014
The objective of these studies was to evaluate the use of an in silico model for predicting lung deposition of inhaled therapeutic aerosols.
Hugh D.C. Smyth, Ted B. Martonen, Kristin K. Isaacs, Anthony J. Hickey   +3 more
doaj   +1 more source

Computational analysis of non-synonymous SNPs in the human LCN2 gene

Egyptian Journal of Medical Human Genetics
Background Lipocalin-2 (LCN2), a neutrophil gelatinase-associated protein, plays an important role in iron homeostasis, infection, and inflammation. Polymorphism in the LCN2 gene is linked to various diseases such as cardiovascular disease, renal damage,
Kaniha Sivakumar, Usha Subbiah
doaj   +1 more source

Predicting Pharmacokinetics in Rats Using Machine Learning: A Comparative Study Between Empirical, Compartmental, and PBPK‐Based Approaches

Clinical and Translational Science
A successful drug needs to combine several properties including high potency and good pharmacokinetic (PK) properties to sustain efficacious plasma concentration over time.
Moritz Walter, Ghaith Aljayyoussi, Bettina Gerner, Hermann Rapp, Christofer S. Tautermann, Pavel Balazki, Miha Skalic, Jens M. Borghardt, Lina Humbeck   +8 more
doaj   +1 more source

Assessment and incorporation of in vitro correlates to pharmacokinetic outcomes in antibody developability workflows

mAbs
In vitro assessments for the prediction of pharmacokinetic (PK) behavior of biotherapeutics can help identify corresponding liabilities significantly earlier in the discovery timeline.
Tushar Jain, Bianka Prinz, Alexander Marker, Alexander Michel, Katrin Reichel, Valerie Czepczor, Sylvie Klieber, Wei Sun, Sagar Kathuria, Sevim Oezguer Bruederle, Christian Lange, Lena Wahl, Charles Starr, Alessandro Masiero, Lindsay Avery   +14 more
doaj   +1 more source

Pharmacogenomics and Pharmacogenetics: In Silico Prediction of Drug Effects in Treatments for Novel Coronavirus SARS-CoV2 Disease

Pharmacogenomics and Personalized Medicine, 2020
Concetta Cafiero,1,* Agnese Re,2,* Alessandra Micera,3,* Raffaele Palmirotta,4 Delio Monaco,5 Francesca Romano,6 Claudia Fabrizio,7 Raffaele Di Francia,8 Andrea Cacciamani,3 Pier Luigi Surico,9 Gerardo D’Amato,10 Salvatore Pisconti1 1Medical ...
Cafiero C, Re A, Micera A, Palmirotta R, Monaco D, Romano F, Fabrizio C, Di Francia R, Cacciamani A, Surico PL, D'Amato G, Pisconti S   +11 more
doaj  

In silico prediction of [PDF]

Veterinary Research, 2014
Ragnhild J Bager, Egle Kudirkiene, Isabelle da Piedade, Torsten Seemann, Tine K Nielsen, Susanne E Pors, Andreas H Mattsson, John D Boyce, Ben Adler, Anders M Bojesen   +9 more
openaire   +1 more source

In silico predictions of genotoxicity for aromatic amines

Frontiers in Bioscience, 2014
Insufficient drug safety is one of the major reasons for failure of drug candidates in Phase II and Phase III clinical trials. Determining toxicity early during the drug discovery process can help lower the attrition rate in clinical trials and lead to significant cost savings.
Jorg, Bentzien, Ingo, Muegge
openaire   +2 more sources

PROPERMAB: an integrative framework for in silico prediction of antibody developability using machine learning

mAbs
Selection of lead therapeutic molecules is often driven predominantly by pharmacological efficacy and safety. Candidate developability, such as biophysical properties that affect the formulation of the molecule into a product, is usually evaluated only ...
Bian Li, Shukun Luo, Wenhua Wang, Jiahui Xu, Dingjiang Liu, Mohammed Shameem, John Mattila, Matthew C. Franklin, Peter G. Hawkins, Gurinder S. Atwal   +9 more
doaj   +1 more source

Differential effects on neurodevelopment of FTO variants in obesity and bipolar disorder suggested by in silico prediction of functional impact: An analysis in Mexican population

Brain and Behavior, 2019
Introduction Several studies indicate that polygenic obesity is linked to fat‐mass and obesity‐associated (FTO) genetic variants. Nevertheless, the link between variants in FTO and mental disorders has been barely explored.
Erasmo Saucedo‐Uribe, Alma Delia Genis‐Mendoza, Adriana Díaz‐Anzaldúa, José Jaime Martínez‐Magaña, Carlos Alfonso Tovilla‐Zarate, Isela Juárez‐Rojop, Nuria Lanzagorta, Michael Escamilla, Thelma Beatriz González‐Castro, María Lilia López Narvaez, Yazmín Hernández‐Díaz, Humberto Nicolini   +11 more
doaj   +1 more source

Exploring the impact of envelope protein mutations on Chikungunya virus epitopes: Analysis of virus samples from the Alagoas State outbreak, Brazil

Asian Pacific Journal of Tropical Medicine
Objective: To investigate mutations in the Chikungunya (CHIKV) envelope genome region and evaluate their potential impact on B lymphocyte epitopes via in silico analysis. Methods: E1, E2 and 6K protein genes were sequenced from viral RNA isolated from 13
Jamile Taniele-Silva, Júlia De Andrade Brandão, Maria Júlia Tenório Costa Cinésio De Oliveira, Stephannie Janaina Maia De Souza, Jean Fábio Gomes Ferro, Magliones Carneiro De Lima, Abelardo Silva-Júnior, Ênio José Bassi, Letícia Anderson   +8 more
doaj   +1 more source