Recognition in the domain of molecular chirality: from noncovalent interactions to separation of enantiomers

P Peluso, B Chankvetadze - Chemical Reviews, 2022 - ACS Publications
It is not a coincidence that both chirality and noncovalent interactions are ubiquitous in
nature and synthetic molecular systems. Noncovalent interactivity between chiral molecules …

Cyclodextrins as chiral selectors in capillary electrophoresis: Recent trends in mechanistic studies

B Chankvetadze, GKE Scriba - TrAC Trends in Analytical Chemistry, 2023 - Elsevier
In the present review the potential of capillary electrophoresis for a better understanding of
the fine structural mechanisms of noncovalent interactions and enantioselective …

Chiral recognition in separation sciences. Part I: Polysaccharide and cyclodextrin selectors

GKE Scriba - TrAC Trends in Analytical Chemistry, 2019 - Elsevier
The stereoselective recognition of chiral molecules is an important aspect in nature as the
basis of the interaction of chiral bioactive compounds with their target structures. In …

Native and substituted cyclodextrins as chiral selectors for capillary electrophoresis enantioseparations: Structures, features, application, and molecular modeling

P Peluso, B Chankvetadze - Electrophoresis, 2021 - Wiley Online Library
CDs are cyclic oligosaccharides consisting of α‐d‐glucopyranosyl units linked through 1, 4‐
linkages, which are obtained from enzymatic degradation of starch. The coexistence of …

[HTML][HTML] Recent developments in molecular modeling tools and applications related to pharmaceutical and biomedical research

P Peluso, B Chankvetadze - Journal of Pharmaceutical and Biomedical …, 2024 - Elsevier
In modern pharmaceutical and biomedical research, molecular modeling represents a
useful tool to explore processes and their mechanistic bases at the molecular level …

Advances of capillary electrophoresis enantioseparations in pharmaceutical analysis (2017–2020)

S Krait, ML Konjaria, GKE Scriba - Electrophoresis, 2021 - Wiley Online Library
Capillary electrophoresis is a powerful technique for the analysis of polar chiral compounds
and has been widely accepted for analytical enantioseparations of drug compounds in …

[HTML][HTML] Isothermal titration calorimetry and molecular modeling study of the complex formation of daclatasvir by γ-cyclodextrin and trimethyl-β-cyclodextrin

P Peluso, D Landy, L Nakhle, R Dallocchio… - Carbohydrate …, 2023 - Elsevier
The complex formation between daclatasvir and γ-CD or heptakis (2, 3, 6-tri-O-methyl)-β-CD
(TM-β-CD) was studied by isothermal titration calorimetry and molecular modeling. Both …

Noncovalent interactions in high-performance liquid chromatography enantioseparations on polysaccharide-based chiral selectors

P Peluso, V Mamane, R Dallocchio, A Dessì… - … of Chromatography A, 2020 - Elsevier
Designed more than thirty years ago in order to improve and maximize the discrimination
capability of native polysaccharides, cellulose-and amylose-based selectors have shown …

Modelling approaches for chiral chromatography on polysaccharide-based and macrocyclic antibiotic chiral selectors: A review

P De Gauquier, K Vanommeslaeghe… - Analytica Chimica …, 2022 - Elsevier
An overview of molecular modelling approaches, related to chiral separations on
polysaccharide-based and macrocyclic antibiotic chiral selectors, is presented. Both …

Molecular dynamics simulations of amylose-and cellulose-based selectors and related enantioseparations in liquid phase chromatography

R Dallocchio, A Dessì, B Sechi, P Peluso - Molecules, 2023 - mdpi.com
In the last few decades, theoretical and technical advancements in computer facilities and
computational techniques have made molecular modeling a useful tool in liquid-phase …