Cyclic dipeptides: The biological and structural landscape with special focus on the anti-cancer proline-based scaffold

J Bojarska, A Mieczkowski, ZM Ziora, M Skwarczynski… - Biomolecules, 2021 - mdpi.com
Cyclic dipeptides, also know as diketopiperazines (DKP), the simplest cyclic forms of
peptides widespread in nature, are unsurpassed in their structural and bio-functional …

Exploring the Chemical Reactivity, Molecular Docking, Molecular Dynamic Simulation and ADMET Properties of a Tetrahydrothienopyridine Derivative Using …

AH Bakheit, MW Attwa, AA Kadi, HA Ghabbour… - Crystals, 2023 - mdpi.com
This study investigates the crystal structure, physicochemical properties, and
pharmacokinetic profile of Ethyl 2-amino-6-methyl-4, 5, 6, 7-tetrahydrothieno [2, 3-c] pyridine …

The experimental and theoretical landscape of a new antiplatelet drug ticagrelor: Insight into supramolecular architecture directed by CH⋯ F, π⋯ π and CH⋯ π …

J Bojarska, M Remko, A Fruziński… - Journal of Molecular …, 2018 - Elsevier
The crystal and molecular structure landscape of a new drug ticagrelor has been
investigated by using experimental and theoretical approach. The structures of this …

Structural and biofunctional insights into the Cyclo (Pro-Pro-Phe-Phe-) Scaffold from experimental and in silico studies: Melanoma and beyond

J Bojarska, M Breza, M Remko, M Czyz… - International Journal of …, 2022 - mdpi.com
Short peptides have great potential as safe and effective anticancer drug leads. Herein, the
influence of short cyclic peptides containing the Pro-Pro-Phe-Phe sequence on patient …

Crystallographic and first‐principles density functional theory study on the structure, noncovalent interactions, and chemical reactivity of 1, 5‐benzodiazepin‐2‐ones …

M Hajji, H Mtiraoui, N Amiri… - … Journal of Quantum …, 2019 - Wiley Online Library
The present work arose out of a desire to fundamentally understand the molecular geometry,
weak interactions, electron density delocalization, and chemical reactivity features of 1, 5 …

Investigation of the formation of drug-drug cocrystals and coamorphous systems of the antidiabetic drug gliclazide

M Aljohani, P MacFhionnghaile, P McArdle… - International journal of …, 2019 - Elsevier
The antidiabetic drug gliclazide (GLZ) has a slow absorption rate and a low bioavailability
due to its poor solubility. GLZ is often prescribed along with an antihypertensive, as many …

Heteroleptic cobalt (II) complex with nitrogen-rich macrocycles—Structure, bioactivity and DFT modelling

M Hajji, N Amiri, FB Taheur, A Bujacz, H Nasri… - Solid State …, 2020 - Elsevier
We herein discuss the synthesis and characterization of a novel mononuclear cobalt (II)
complex Co II (TPBP)(HTMA) 2 with the N-donor ligands; hexamethylenetetramine HTMA …

Supramolecular synthon hierarchy in cyclopropyl-containing peptide-derived compounds

J Bojarska, M Breza, M Remko, P Borowiecki… - …, 2022 - pubs.rsc.org
Considering the increasing importance of cyclopropyl-containing peptide-derived
compounds in the pharmaceutical industry, herein, we report the crystal engineering of a …

The First Insight Into the Supramolecular System of D,L-α-Difluoromethylornithine: A New Antiviral Perspective

J Bojarska, R New, P Borowiecki, M Remko… - Frontiers in …, 2021 - frontiersin.org
Targeting the polyamine biosynthetic pathway by inhibiting ornithine decarboxylase (ODC)
is a powerful approach in the fight against diverse viruses, including SARS-CoV-2 …

Supramolecular synthon polymorphism in modified amino acids. Structural, conformational and energy landscapes of N-benzoyl-2′-hydroxy-3-methylisovaline

J Bojarska, M Remko, ID Madura… - Journal of Molecular …, 2019 - Elsevier
The title compound, N-benzoyl-2′-hydroxy-3-methylisovaline, representing synthon
polymorphism, can be interesting inter alia from the point of view of modern supramolecular …