AIMC Topic: Alanine

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Tenofovir alafenamide versus tenofovir disoproxil fumarate for the treatment of HBeAg-positive chronic hepatitis B virus infection: a randomised, double-blind, phase 3, non-inferiority trial.

The lancet. Gastroenterology & hepatology
BACKGROUND: Tenofovir alafenamide is a novel prodrug formulated to deliver the active metabolite to target cells more efficiently than tenofovir disoproxil fumarate at a lower dose, thereby reducing systemic exposure. In patients with HIV, tenofovir ...

A deep learning and molecular modeling approach to repurposing Cangrelor as a potential inhibitor of Nipah virus.

Scientific reports
Deforestation, urbanization, and climate change have significantly increased the risk of zoonotic diseases. Nipah virus (NiV) of Paramyxoviridae family and Henipavirus genus is transmitted by Pteropus bats. Climate-induced changes in bat migration pa...

Examination of the relationship between D-amino acid profiles and cognitive function in individuals with mild cognitive impairment: a machine learning approach.

The international journal of neuropsychopharmacology
BACKGROUND: The global prevalence of dementia is significantly increasing. Early detection and prevention strategies, particularly for mild cognitive impairment (MCI), are crucial but currently hindered by the lack of established biomarkers. Here, we...

COVID-19 Patients Benefitting From Remdesivir for Improved Survival: A Neural Network-Based Approach.

Journal of medical virology
Conflicting results from randomized trials regarding the efficacy of remdesivir for COVID-19 have been reported. We aimed to develop a neural network (NN) to identify COVID-19 patients who would derive the greatest survival benefit from remdesivir. T...

Explaining reaction coordinates of alanine dipeptide isomerization obtained from deep neural networks using Explainable Artificial Intelligence (XAI).

The Journal of chemical physics
A method for obtaining appropriate reaction coordinates is required to identify transition states distinguishing the product and reactant in complex molecular systems. Recently, abundant research has been devoted to obtaining reaction coordinates usi...

Deep learning identifies synergistic drug combinations for treating COVID-19.

Proceedings of the National Academy of Sciences of the United States of America
Effective treatments for COVID-19 are urgently needed. However, discovering single-agent therapies with activity against severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has been challenging. Combination therapies play an important role i...

Application of machine intelligence technology in the detection of vaccines and medicines for SARS-CoV-2.

European review for medical and pharmacological sciences
Researchers have found many similarities between the 2003 severe acute respiratory syndrome (SARS) virus and SARS-CoV-19 through existing data that reveal the SARS's cause. Artificial intelligence (AI) learning models can be created to predict drug s...

Recognizing and Predicting Thioether Bridges Formed by Lanthionine and β-Methyllanthionine in Lantibiotics Using a Random Forest Approach with Feature Selection.

Combinatorial chemistry & high throughput screening
BACKGROUND: Lantibiotics, which are usually produced from Gram-positive bacteria, are regarded as one type of special bacteriocins. Lantibiotics have unsaturated amino acid residues formed by lanthionine (Lan) and β-methyllanthionine (MeLan) residues...