Exploiting Pharma 4.0 Technologies in the Non-Biological Complex Drugs Manufacturing: Innovations and Implications

V Malheiro, J Duarte, F Veiga, F Mascarenhas-Melo - Pharmaceutics, 2023 - mdpi.com
The pharmaceutical industry has entered an era of transformation with the emergence of
Pharma 4.0, which leverages cutting-edge technologies in manufacturing processes. These …

Unravel the Tangle: Atomistic Insight into Ultrahigh Curcumin‐Loaded Polymer Micelles

J Kehrein, E Gürsöz, M Davies, R Luxenhofer… - Small, 2023 - Wiley Online Library
Amphiphilic ABA‐triblock copolymers, comprised of poly (2‐oxazoline) and poly (2‐
oxazine), can solubilize poorly water‐soluble molecules in a structure‐dependent manner …

Product quality research for developing and assessing regulatory submissions for generic cyclosporine ophthalmic emulsions

A Belenos, EL Wood, M Hu, D Kozak, X Xu, AC Fisher - The AAPS journal, 2023 - Springer
Approval of the first generic 0.05% cyclosporine ophthalmic emulsion (COE) in the US
represents a milestone achievement of the science and research program in the US Food …

Effect of solvent on the emulsion and morphology of polyfluorene films: all-atom molecular dynamics approach

SK Pinky, AL Kwansa, B Zhang, AD Stiff-Roberts… - Soft Matter, 2023 - pubs.rsc.org
The morphology of conjugated polymer thin films deposited by the resonant infrared matrix-
assisted pulsed laser evaporation (RIR-MAPLE) process is related to the emulsion …

Coarse-Grained Molecular Dynamics Simulation of Heterogeneous Polysorbate 80 Surfactants and their Interactions with Small Molecules and Proteins

H Lou, Y Wu, K Kuczera… - Molecular Pharmaceutics, 2024 - ACS Publications
Polysorbate 80 (PS80) is widely used in pharmaceutical formulations, and its commercial
grades exhibit certain levels of structural heterogeneity. The objective of this study was to …

Manufacturing process of liposomal Formation: A coarse-grained molecular dynamics simulation

T Duran, AP Costa, J Kneski, X Xu, DJ Burgess… - International Journal of …, 2024 - Elsevier
A method of producing liposomes has been previously developed using a continuous
manufacturing technology that involves a co-axial turbulent jet in co-flow. In this study …

Studying the ssDNA loaded adeno-associated virus aggregation using coarse-grained molecular dynamics simulations

T Duran, S Naik, L Sharifi, WR DiLuzio… - International Journal of …, 2024 - Elsevier
The aggregation of adeno-associated viral (AAV) capsids in an aqueous environment was
investigated via coarse-grained molecular dynamics (CG-MD) simulations. The primary …

Polyfluoroalkyl Chain‐Based Assemblies for Biomimetic Catalysis

N Liu, P Gao, HY Lu, L Fang, J Nicolas… - … A European Journal, 2024 - Wiley Online Library
Amphiphobic fluoroalkyl chains are exploited for creating robust and diverse self‐assembled
biomimetic catalysts. Long terminal perfluoroalkyl chains (CnF2n+ 1 with n= 6, 8, and 10) …

Molecular Modeling in Drug Delivery: Polymer Protective Coatings as Case Study

A Bunker, J Kehrein - … Pharmaceutics: AI and Modeling in Pharma …, 2024 - books.google.com
In this chapter, we discuss the use of the computational technique of molecular dynamics
(MD) simulation as a design tool for the development of polymers as a means to enhance …

Dynamics of amphiphilic poly (ε-caprolactone) micelles with doxorubicin and transition temperature predictions using all-atom molecular dynamics simulation

T Shah, MC Stefan, H Torabifard - 2024 - chemrxiv.org
Despite the advent of novel therapeutics, efficient delivery of antineoplastic drugs remains a
challenge. Biodegradable polymeric micelles represent a promising frontier by offering …