Perspective on quantitative structure–toxicity relationship (QSTR) models to predict hepatic biotransformation of xenobiotics

M Rai, N Paudel, M Sakhrie, D Gemmati, IA Khan… - Livers, 2023 - mdpi.com
Biotransformation refers to the metabolic conversion of endogenous and xenobiotic
chemicals into more hydrophilic substances. Xenobiotic biotransformation is accomplished …

[HTML][HTML] Simulation-based approaches for drug delivery systems: navigating advancements, opportunities, and challenges

I Salahshoori, M Golriz, MAL Nobre, S Mahdavi… - Journal of Molecular …, 2023 - Elsevier
Efficient drug delivery systems (DDSs) play a pivotal role in ensuring pharmaceuticals'
targeted and effective administration. However, the intricate interplay between drug …

Cocrystals and salts of milrinone with fluoro coformers: improving drug dissolution and diffusion and calculating normalized diffusion for pharmaceutical cocrystals

M Rana, A Garai, AK Nangia - Crystal Growth & Design, 2023 - ACS Publications
Milrinone (MRN) is a second-generation bipyridine phosphodiesterase inhibitor that
improves cardiac function and peripheral vasodilation in acute decongested heart failure …

Investigating the Effect of Emtricitabine Cocrystals with Aromatic Carboxylic Acids on Solubility and Diffusion Permeability

DK Shajan, N Pandey, A Ghosh… - Crystal Growth & …, 2023 - ACS Publications
Emtricitabine (ECB), a nucleoside reverse-transcriptase inhibitor, is commonly used to
prevent and treat HIV infection in both adults and children. The drug is categorized as a …

Exploring the Antibacterial Potential of Semisynthetic Phytocannabinoid: Tetrahydrocannabidiol (THCBD) as a Potential Antibacterial Agent against Sensitive and …

PS Cham, Deepika, R Bhat, D Raina… - ACS Infectious …, 2023 - ACS Publications
Antimicrobial resistance (AMR) is one of the most challenging problems and is responsible
for millions of deaths every year. We therefore urgently require new chemical entities with …

Tuning Caco-2 permeability by cocrystallization: Insights from molecular dynamics simulation

N Pandey, N Kumari, P Roy, SK Mondal… - International journal of …, 2024 - Elsevier
Emerging evidence suggests that intestinal permeability can be potentially enhanced
through cocrystallization. However, a mechanism for this effect remains to be established. In …

Cocrystallization of multi-kinase inhibitor pazopanib with fenamic acids: improving dissolution and inhibiting cell migration

SK Rai, A Gunnam, D Roy, R Rajput, K Kulkarni… - …, 2023 - pubs.rsc.org
A multi-kinase inhibitor, pazopanib (PAZ) is cocrystallized with cyclooxygenase (COX)
inhibitor fenamic acids to investigate the dissolution rate and inhibition of cell migration in …

Optimizing Drug Development: Harnessing the Sustainability of Pharmaceutical Cocrystals

S Aitipamula, G Bolla - Molecular Pharmaceutics, 2024 - ACS Publications
Environmental impacts of the industrial revolution necessitate adoption of sustainable
practices in all areas of development. The pharmaceutical industry faces increasing …

A Perspective on the Permeability of Cocrystals/Organic Salts of Oral Drugs

A Samie, H Alavian - Molecular Pharmaceutics, 2024 - ACS Publications
According to the BCS classification system, the differentiation of drugs is based on two
essential parameters of solubility and permeability, meaning the latter is as pivotal as the …

Importance of Structural Databases, Molecular Pharmacophores, Supramolecular Heterosynthons, and Artificial Intelligence–Machine Learning–Neural Network Tools …

AK Nangia - Crystal Growth & Design, 2024 - ACS Publications
The progress and growth of drug discovery and development (DDD) in the past five decades
are reviewed in terms of the changing trends over the years. The importance of the …