Physiologically Based Pharmacokinetic (PBPK) models are mechanistic tools generally
employed in the pharmaceutical industry and environmental health risk assessment. These …

Neuropharmacology faces challenges due to the intricate nervous system, diverse
neurological disorders, and existence of the blood–brain barrier (BBB), which hinder the …

Drug metabolism and transport, orchestrated by drug-metabolizing enzymes (DMEs) and
drug transporters (DTs), are implicated in drug–drug interactions (DDIs) and adverse drug …

MMP-9, also known as gelatinase B, is a zinc-metalloproteinase family protein that plays a
key role in the degradation of the extracellular matrix (ECM). The normal function of MMP-9 …

The world is targeting fully sustainable electricity by 2050. Energy storage systems have the
biggest role to play in the 100% renewable energy scenario. This paper presents an optimal …

Computer-aided (in silico) prediction has shown good potential to support the environmental
risk assessment (ERA) of pharmaceutical emerging contaminants (PECs), allowing low-cost …

Structure-based virtual screening (SBVS) is an important approach that makes the first
stages of drug development and repurposing processes faster and more efficient. Advances …

The integration of AI has revolutionized cancer drug development, transforming the
landscape of drug discovery through sophisticated computational techniques. AI-powered …

Oral drug absorption is the primary route for drug administration. However, this process
hinges on multiple factors, including the drug's physicochemical properties, formulation …

Background: Computer-Aided Drug Design (CADD) approaches are essential in the drug
discovery and development process. Pharmaceutical and biotechnology organizations, as …