[HTML][HTML] 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 …

[HTML][HTML] Pharmaceutical cocrystals: A review of preparations, physicochemical properties and applications

M Guo, X Sun, J Chen, T Cai - Acta Pharmaceutica Sinica B, 2021 - Elsevier
Pharmaceutical cocrystals are multicomponent systems in which at least one component is
an active pharmaceutical ingredient and the others are pharmaceutically acceptable …

A million crystal structures: The whole is greater than the sum of its parts

R Taylor, PA Wood - Chemical reviews, 2019 - ACS Publications
The founding in 1965 of what is now called the Cambridge Structural Database (CSD) has
reaped dividends in numerous and diverse areas of chemical research. Each of the million …

[HTML][HTML] Solid-state NMR spectroscopy in pharmaceutical sciences

M Li, W Xu, Y Su - TrAC Trends in Analytical Chemistry, 2021 - Elsevier
Solid-state NMR (ssNMR) spectroscopy analyzes a wide range of pharmaceutical materials
in a non-disruptive and non-invasive manner. The obtained molecular properties at …

Supercritical carbon dioxide-based technologies for the production of drug nanoparticles/nanocrystals–a comprehensive review

L Padrela, MA Rodrigues, A Duarte, AMA Dias… - Advanced drug delivery …, 2018 - Elsevier
Low drug bioavailability, which is mostly a result of poor aqueous drug solubilities and of
inadequate drug dissolution rates, is one of the most significant challenges that …

Hierarchical micro/nanofibrous scaffolds incorporated with curcumin and zinc ion eutectic metal organic frameworks for enhanced diabetic wound healing via anti …

Y Wang, T Ying, J Li, Y Xu, R Wang, Q Ke… - Chemical Engineering …, 2020 - Elsevier
Persistent excessive inflammation and oxidative stress are main causes for the impaired
wound healing in diabetic patient. To reduce the excessive reactive oxygen species (ROS) …

[HTML][HTML] Engineering cocrystals of poorly water-soluble drugs to enhance dissolution in aqueous medium

I Sathisaran, SV Dalvi - Pharmaceutics, 2018 - mdpi.com
Biopharmaceutics Classification System (BCS) Class II and IV drugs suffer from poor
aqueous solubility and hence low bioavailability. Most of these drugs are hydrophobic and …

[HTML][HTML] Mechanochemistry: A green approach in the preparation of pharmaceutical cocrystals

M Solares-Briones, G Coyote-Dotor, JC Páez-Franco… - Pharmaceutics, 2021 - mdpi.com
Mechanochemistry is considered an alternative attractive greener approach to prepare
diverse molecular compounds and has become an important synthetic tool in different fields …

Co-amorphous systems for the delivery of poorly water-soluble drugs: Recent advances and an update

J Han, Y Wei, Y Lu, R Wang, J Zhang… - Expert opinion on drug …, 2020 - Taylor & Francis
Introduction Most new drug candidates under development are poorly water-soluble, which
are related to multiple pharmaceutical issues, increasing the bioavailability of these drugs by …

[HTML][HTML] Pharmaceutical hydrates analysis—overview of methods and recent advances

E Jurczak, AH Mazurek, Ł Szeleszczuk, DM Pisklak… - Pharmaceutics, 2020 - mdpi.com
This review discusses a set of instrumental and computational methods that are used to
characterize hydrated forms of APIs (active pharmaceutical ingredients). The focus has been …