High-throughput virtual screening approach of natural compounds as target inhibitors of plasmepsin-II

F En-Nahli, S Baammi, H Hajji… - Journal of …, 2023 - Taylor & Francis
Plasmepsin II is a key enzyme in the life cycle of the Plasmodium falciparum parasite
responsible for malaria, a disease that is causing deaths on a worldwide scale. Recently …

Inhibitors of Plasmepsin X Plasmodium falciparum: Structure-based pharmacophore generation and molecular dynamics simulation

SK Panda, S Saxena, PSS Gupta, MK Rana - Journal of Molecular Liquids, 2021 - Elsevier
Malaria is a life-threatening disease caused by Plasmodium parasites, which are transmitted
to humans through infected female Anopheles mosquitoes. Over the past few decades …

Artificial intelligence based de-novo design for novel Plasmodium falciparum plasmepsin (PM) X inhibitors

S Charles, RK Mahapatra - Journal of Biomolecular Structure and …, 2023 - Taylor & Francis
Plasmodium falciparum is the leading cause of malaria with 627,000 deaths annually.
Invasion and egress are critical stages for successful infection of the host yet depend on …

Insights on inhibition of Plasmodium falciparum plasmepsin I by novel epoxyazadiradione derivatives–molecular docking and comparative molecular field analysis

M Thillainayagam, K Malathi, A Anbarasu… - Journal of …, 2018 - Taylor & Francis
In the present study, we have explored the anti-malarial potential of epoxyazadiradione, the
natural entity extracted from the neem seed oil and its chemical derivatives, against …

In vitro antimalarial activity and molecular modeling studies of novel artemisinin derivatives

R Gaur, HS Cheema, Y Kumar, SP Singh, DK Yadav… - RSC …, 2015 - pubs.rsc.org
Cerebral malaria is a serious and sometimes fatal disease caused by a Plasmodium
falciparum parasite that infects a female anopheles mosquito which feeds on humans. The …

Exploring dual inhibitory role of febrifugine analogues against Plasmodium utilizing structure-based virtual screening and molecular dynamic simulation

RK Pandey, A Narula, M Naskar… - Journal of …, 2017 - Taylor & Francis
Malaria is an endemic disease caused by the protozoan parasite Plasomodium falciparum.
Febrifugine analogues are natural compound obtained from the traditional Chinese herbs …

In Silico and In Vitro Antimalarial Screening and Validation Targeting Plasmodium falciparum Plasmepsin V

X Ji, Z Wang, Q Chen, J Li, H Wang, Z Wang, L Yang - Molecules, 2022 - mdpi.com
Malaria chemotherapy is greatly threatened by the recent emergence and spread of
resistance in the Plasmodium falciparum parasite against artemisinins and their partner …

Analysis of non-peptidic compounds as potential malarial inhibitors against Plasmodial cysteine proteases via integrated virtual screening workflow

TM Musyoka, AM Kanzi, KA Lobb… - Journal of …, 2016 - Taylor & Francis
Falcipain-2 (FP-2) and falcipain-3 (FP-3), haemoglobin-degrading enzymes in Plasmodium
falciparum, are validated drug targets for the development of effective inhibitors against …

QSAR, docking and ADMET studies of artemisinin derivatives for antimalarial activity targeting plasmepsin II, a hemoglobin-degrading enzyme from P. falciparum

T Qidwai, DK Yadav, F Khan… - Current …, 2012 - ingentaconnect.com
This work presents the development of quantitative structure activity relationship (QSAR)
model to predict the antimalarial activity of artemisinin derivatives. The structures of the …

Virtual screening techniques to probe the antimalarial activity of some traditionally used phytochemicals

IG Shibi, L Aswathy, RS Jisha… - … chemistry & high …, 2016 - ingentaconnect.com
Malaria parasites show resistance to most of the antimalarial drugs and hence developing
antimalarials which can act on multitargets rather than a single target will be a promising …