The Potential of C‐Glycosylflavonoids as α‐Glucosidase Inhibitors Determined by Virtual Screening, Molecular Docking, Molecular Dynamics, and IC50 Studies
M Sadeghi, M Shakouri Khomartash… - ChemistrySelect, 2023 - Wiley Online Library
Inhibition of intestinal α‐glucosidase (αGS), a crucial enzyme in carbohydrate digestion, is
an effective therapeutic approach for diabetes mellitus treatment. The C‐glycosylflavonoids …
an effective therapeutic approach for diabetes mellitus treatment. The C‐glycosylflavonoids …
Drug Mechanism: A bioinformatic update
M Cirinciani, E Da Pozzo, ML Trincavelli… - Biochemical …, 2024 - Elsevier
A drug Mechanism of Action (MoA) is a complex biological phenomenon that describes how
a bioactive compound produces a pharmacological effect. The complete knowledge of MoA …
a bioactive compound produces a pharmacological effect. The complete knowledge of MoA …
Accelerating Scientific Applications with the Quantum Edge: A Drug Design Use Case
To address increasing demands of computational resources, scientific applications started to
support different type of hardware accelerators, eg, GPUs, TPUs, ASICs. However, due to …
support different type of hardware accelerators, eg, GPUs, TPUs, ASICs. However, due to …
[HTML][HTML] Computer-Aided Identification of Kinase-Targeted Small Molecules for Cancer: A Review on AKT Protein
AKT (also known as PKB) is a serine/threonine kinase that plays a pivotal regulatory role in
the PI3K/AKT/mTOR signaling pathway. Dysregulation of AKT activity, especially its …
the PI3K/AKT/mTOR signaling pathway. Dysregulation of AKT activity, especially its …
L'intelligence artificielle, une révolution dans le développement des médicaments
P Moingeon, C Garbay, M Dahan… - médecine …, 2024 - medecinesciences.org
L'intelligence artificielle (IA) et l'apprentissage automatique produisent des modèles
prédictifs qui aident à la prise de décisions dans le processus de découverte de nouveaux …
prédictifs qui aident à la prise de décisions dans le processus de découverte de nouveaux …
Application of artificial intelligence in pharmaceutical development
Pharmaceutical development constitutes a highly complex process with several steps that
need to be completed for bringing a new safe and effective drug into the market. This …
need to be completed for bringing a new safe and effective drug into the market. This …
[HTML][HTML] Harnessing the power of AI-based models to accelerate drug discovery against immune diseases
P Moingeon - Expert Review of Clinical Immunology, 2024 - Taylor & Francis
Traditional drug discovery often involves laborious and time-consuming processes.
However, emerging artificial intelligence (AI)-based models offer new ways to expedite the …
However, emerging artificial intelligence (AI)-based models offer new ways to expedite the …
Exploration of comprehensive marine natural products database against dengue viral non-structural protein 1 using high-throughput computational studies
Dengue virus (DENV) non-structural protein 1 (NS1) is a versatile quasi-protein essential for
the multiplication of the virus. This study applied high-throughput virtual screening (HTVS) …
the multiplication of the virus. This study applied high-throughput virtual screening (HTVS) …
Cloud-based digital healthcare development for precision medical hospital information system
Aim: This study aims to develop a cloud-based digital healthcare system for precision
medical hospital information systems (P-HIS). Methods: In 2020, international …
medical hospital information systems (P-HIS). Methods: In 2020, international …
Revolutionizing Drug Discovery: The Role of AI and Machine Learning in Accelerating Medicinal Advancements
A Sayal, J Jha, N Chaithra… - … Machine Learning in …, 2024 - Wiley Online Library
Historically, drug discovery was dominated by relentless scientific experiments and
repetitive laboratory procedures. However, with the introduction of computational …
repetitive laboratory procedures. However, with the introduction of computational …