Opportunities and challenges in application of artificial intelligence in pharmacology

M Kumar, TPN Nguyen, J Kaur, TG Singh, D Soni… - Pharmacological …, 2023 - Springer
Artificial intelligence (AI) is a machine science that can mimic human behaviour like
intelligent analysis of data. AI functions with specialized algorithms and integrates with deep …

Emerging application of nanorobotics and artificial intelligence to cross the BBB: advances in design, controlled maneuvering, and targeting of the barriers

AV Singh, V Chandrasekar… - ACS chemical …, 2021 - ACS Publications
The blood–brain barrier (BBB) is a prime focus for clinicians to maintain the homeostatic
function in health and deliver the theranostics in brain cancer and number of neurological …

Breaking the barriers: Machine-learning-based c-RASAR approach for accurate blood–brain barrier permeability prediction

V Kumar, A Banerjee, K Roy - Journal of Chemical Information …, 2024 - ACS Publications
The intricate nature of the blood–brain barrier (BBB) poses a significant challenge in
predicting drug permeability, which is crucial for assessing central nervous system (CNS) …

Re-routing drugs to blood brain barrier: a comprehensive analysis of machine learning approaches with fingerprint amalgamation and data balancing

MY Ansari, V Chandrasekar, AV Singh… - IEEE Access, 2022 - ieeexplore.ieee.org
Computational drug repurposing is an efficient method to utilize existing knowledge for
understanding and predicting their effect on neurological diseases. The ability of a molecule …

[HTML][HTML] The trends and future prospective of in silico models from the viewpoint of ADME evaluation in drug discovery

H Komura, R Watanabe, K Mizuguchi - Pharmaceutics, 2023 - mdpi.com
Drug discovery and development are aimed at identifying new chemical molecular entities
(NCEs) with desirable pharmacokinetic profiles for high therapeutic efficacy. The plasma …

AI-enhanced biomedical micro/nanorobots in microfluidics

H Dong, J Lin, Y Tao, Y Jia, L Sun, WJ Li, H Sun - Lab on a Chip, 2024 - pubs.rsc.org
Human beings encompass sophisticated microcirculation and microenvironments,
incorporating a broad spectrum of microfluidic systems that adopt fundamental roles in …

DeePred-BBB: A blood brain barrier permeability prediction model with improved accuracy

R Kumar, A Sharma, A Alexiou, AL Bilgrami… - Frontiers in …, 2022 - frontiersin.org
The blood-brain barrier (BBB) is a selective and semipermeable boundary that maintains
homeostasis inside the central nervous system (CNS). The BBB permeability of compounds …

Recent studies of artificial intelligence on in silico drug distribution prediction

TTV Tran, H Tayara, KT Chong - International Journal of Molecular …, 2023 - mdpi.com
Drug distribution is an important process in pharmacokinetics because it has the potential to
influence both the amount of medicine reaching the active sites and the effectiveness as well …

Biological membrane-penetrating peptides: computational prediction and applications

ECL de Oliveira, KS da Costa, PS Taube… - Frontiers in Cellular …, 2022 - frontiersin.org
Peptides comprise a versatile class of biomolecules that present a unique chemical space
with diverse physicochemical and structural properties. Some classes of peptides are able to …

Target-specificity of different amyrin subunits in impeding HCV influx mechanism inside the human cells considering the quantum tunnel profiles and molecular strings …

A Jabin, MF Uddin, S Al Azad, A Rahman… - In Silico …, 2023 - Springer
HCV is a hepatotropic RNA virus recognized for its frequent virulence and fatality worldwide.
Despite many vaccine development programs underway, researchers are on a quest for …