A quinquennial review on recent advancements and developments in search of anti-malarial agents

TM Dhameliya, D Kathuria, TM Patel… - Current Topics in …, 2023 - benthamdirect.com
Malaria has been a major parasitic disease in tropical and subtropical regions and is
estimated to kill between one and two million people (mainly children) every year. Novel anti …

Systematic review on the application of machine learning to quantitative structure–activity relationship modeling against Plasmodium falciparum

OE Oguike, CH Ugwuishiwu, CN Asogwa, CO Nnadi… - Molecular Diversity, 2022 - Springer
Malaria accounts for over two million deaths globally. To flatten this curve, there is a need to
develop new and high potent drugs against Plasmodium falciparum. Some major …

In silico modeling revealed phytomolecules derived from Cymbopogon citratus (DC.) leaf extract as promising candidates for malaria therapy

IO Evbuomwan, OO Alejolowo, TC Elebiyo… - Journal of …, 2024 - Taylor & Francis
The emergence of varying levels of resistance to currently available antimalarial drugs
significantly threatens global health. This factor heightens the urgency to explore bioactive …

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 …

The importance of selecting crystal form for triazole fungicide tebuconazole to enhance its botryticidal activity

Y Chen, D Yan, J Xu, H Xiong, S Luan, C Xiao… - Science of The Total …, 2023 - Elsevier
The growing evidences of resistant fungi stimulate fully understanding tebuconazole
regarding its crystal structure on fungicidal activity. In this study, the crystal structures of six …

Unsupervised machine learning, QSAR modelling and web tool development for streamlining the lead identification process of antimalarial flavonoids

JH Zothantluanga, D Chetia, S Rajkhowa… - SAR and QSAR in …, 2023 - Taylor & Francis
Identification of lead compounds with the traditional laboratory approach is expensive and
time-consuming. Nowadays, in silico techniques have emerged as a promising approach for …

Coumarins as Potential Antiprotozoal Agents: Biological Activities and Mechanism of Action

EJT Sierra, CF Cordeiro, L de Figueiredo Diniz… - Revista Brasileira de …, 2021 - Springer
Since the discovery of dicoumarol (a coumarin-based anticoagulant) in 1940, coumarins
have been found to possess a range of biological activities such as antimicrobial, anti …

[HTML][HTML] Quantitative Structure-Activity Relationship, Structure-based Design, and ADMET studies of pyrimethamine and cycloguanil analogs inhibitors of Plasmodium …

ZY Ibrahim, A Uzairu, GA Shallangwa, SE Abechi… - Chemical Physics …, 2022 - Elsevier
The increasing resistance of the malarial parasite to readily available drugs ensures a
continuous battle against endemic diseases. Hence, the search for antimalarial drugs with …

A comprehension on structure guided alignment dependent 3D-QSAR modelling, and molecular dynamics simulation on 2, 4-thiazolidinediones as aldose reductase …

P Gautam, P Bisht, A Gautam, GD Gupta… - Journal of …, 2023 - Taylor & Francis
Aldose reductase is an oxo-reductase enzyme belonging to the aldo-keto reductase class.
Compounds having thiazolidine-2, 4-dione scaffold are reported as potential aldose …

Structure–activity relationships and interindividual variability of drug responses: pharmacogenomics with antimicrobial drugs as a paradigm

RH Thabet, BOS Alshar… - Journal of …, 2023 - journals.sagepub.com
Adverse drug reactions represent a major health burden because they cause notable patient
morbidity and mortality. From this viewpoint, several strategies have been developed to …