Identifying inhibitors of β-haematin formation with activity against chloroquine-resistant Plasmodium falciparum malaria parasites via virtual screening approaches

L Amod, R Mohunlal, N Teixeira, TJ Egan, KJ Wicht - Scientific Reports, 2023 - nature.com
The biomineral haemozoin, or its synthetic analogue β-haematin (βH), has been the focus of
several target-based screens for activity against Plasmodium falciparum parasites. Together …

2D-quantitative structure–activity relationships model using PLS method for anti-malarial activities of anti-haemozoin compounds

PTV Nguyen, T Van Dat, S Mizukami, DLH Nguyen… - Malaria Journal, 2021 - Springer
Background Emergence of cross-resistance to current anti-malarial drugs has led to an
urgent need for identification of potential compounds with novel modes of action and anti …

Recent Advances in Transition-Metal-Catalyzed Reactions of N-Tosylhydrazones

V Vaishya, R Singhal, T Kriplani, M Pilania - Synthesis, 2022 - thieme-connect.com
N-Tosylhydrazones are highly versatile precursors for in situ carbene formation and are
frequently used in metal-catalyzed cross-coupling reactions. Due to their many applications …

Adsorption to the Surface of Hemozoin Crystals: Structure‐Based Design and Synthesis of Amino‐Phenoxazine β‐Hematin Inhibitors

T Olivier, L Loots, M Kok, M De Villiers… - …, 2022 - Wiley Online Library
In silico adsorption of eight antimalarials that inhibit β‐hematin (synthetic hemozoin)
formation identified a primary binding site on the (001) face, which accommodates inhibitors …

Physicochemical profiling and comparison of research antiplasmodials and advanced stage antimalarials with oral drugs

A Bhanot, S Sundriyal - ACS omega, 2021 - ACS Publications
To understand the property space of antimalarials, we collated a large dataset of research
antiplasmodial (RAP) molecules with known in vitro potencies and advanced stage …

[HTML][HTML] Design of N-11-Azaartemisinins Potentially Active against Plasmodium falciparum by Combined Molecular Electrostatic Potential, Ligand-Receptor Interaction …

JSO de Castro, JC Pinheiro, SSS de Morais… - Journal of Biophysical …, 2023 - scirp.org
N-11-azaartemisinins potentially active against Plasmodium falciparum are designed by
combining molecular electrostatic potential (MEP), ligand-receptor interaction, and models …

[HTML][HTML] Designing Artemisinins with Antimalarial Potential, Combining Molecular Electrostatic Potential, Ligand-Heme Interaction and Multivariate Models

JJO Araújo, RM de Miranda, JSO de Castro… - Computational …, 2022 - scirp.org
Artemisinins tested against W-2 strains of malaria falciparum are investigated with molecular
electrostatic potential (MEP), in an attempt to identify key features of the compounds that are …

Magneto-optical assessment of Plasmodium parasite growth via hemozoin crystal size

Á Orbán, JJ Schumacher, S Mucza, A Strinic, P Molnár… - 2023 - researchsquare.com
Hemozoin is a natural biomarker formed during the hemoglobin metabolism of
Plasmodiumparasites, the causative agents of malaria. The rotating-crystal magneto-optical …