Molecular dynamics simulations in drug discovery and pharmaceutical development

OMH Salo-Ahen, I Alanko, R Bhadane, AMJJ Bonvin… - Processes, 2020 - mdpi.com
Molecular dynamics (MD) simulations have become increasingly useful in the modern drug
development process. In this review, we give a broad overview of the current application …

Advancement in solubilization approaches: a step towards bioavailability enhancement of poorly soluble drugs

L Kumari, Y Choudhari, P Patel, GD Gupta, D Singh… - Life, 2023 - mdpi.com
A drug's aqueous solubility is defined as the ability to dissolve in a particular solvent, and it
is currently a major hurdle in bringing new drug molecules to the market. According to some …

Solid lipid nanoparticles for enhanced oral absorption: A review

E Salah, MM Abouelfetouh, Y Pan, D Chen… - colloids and surfaces B …, 2020 - Elsevier
Recent trends in nanoparticles-based oral therapy have led to a proliferation of studies to
enhance solubility, permeability and chemical stability of many drugs. One of the significant …

Deep eutectic solvents enhancing drug solubility and its delivery

A Sharma, YR Park, A Garg, BS Lee - Journal of Medicinal …, 2024 - ACS Publications
Deep eutectic solvents (DES) are environmentally friendly solvents with the potential to
dissolve bioactive compounds without affecting their characteristics. DES has special …

Lipid-based systems as promising approach for enhancing the bioavailability of poorly water-soluble drugs

K Čerpnjak, A Zvonar, M Gašperlin, F Vrečer - Acta pharmaceutica, 2013 - hrcak.srce.hr
Sažetak Low oral bioavailability as a consequence of low water solubility of drugs is a
growing challenge to the development of new pharmaceutical products. One of the most …

pH-responsive lignin-based complex micelles: Preparation, characterization and application in oral drug delivery

Y Li, X Qiu, Y Qian, W Xiong, D Yang - Chemical Engineering Journal, 2017 - Elsevier
We developed a simple and practical method to prepare pH-responsive lignin-based
complex micelles in green solvents using purified alkali lignin. Alkali lignin (AL) was …

Quality by design: Development of the quality target product profile (QTPP) for semisolid topical products

S Namjoshi, M Dabbaghi, MS Roberts, JE Grice… - Pharmaceutics, 2020 - mdpi.com
In recent years, the “quality by design”(QbD) approach has been used for developing
pharmaceutical formulations. This is particularly important for complex dosage forms such as …

Nanosizing of drugs: effect on dissolution rate

SM Dizaj, Z Vazifehasl, S Salatin… - Research in …, 2015 - journals.lww.com
The solubility, bioavailability and dissolution rate of drugs are important parameters for
achieving in vivo efficiency. The bioavailability of orally administered drugs depends on their …

Equilibrium solubility of 7-amino-4-methylcoumarin in several aqueous co-solvent mixtures revisited: Transfer property, solute-solvent and solvent-solvent interactions …

A Farajtabar, H Zhao - Journal of Molecular Liquids, 2020 - Elsevier
The preferential solvation analysis was carried out by the inverse Kirkwood–Buff integrals
method on available solubility data of 7-amino-4-methylcoumarin in four aqueous co-solvent …

SolPredictor: predicting solubility with residual gated graph neural network

W Ahmad, H Tayara, HJ Shim, KT Chong - International Journal of …, 2024 - mdpi.com
Computational methods play a pivotal role in the pursuit of efficient drug discovery, enabling
the rapid assessment of compound properties before costly and time-consuming laboratory …