Roles of virtual screening and molecular dynamics simulations in discovering and understanding antimalarial drugs

SS Duay, RCY Yap, AL Gaitano III, JAA Santos… - International Journal of …, 2023 - mdpi.com
Malaria continues to be a global health threat, with approximately 247 million cases
worldwide. Despite therapeutic interventions being available, patient compliance is a …

Hybrid molecules with potential in vitro antiplasmodial and in vivo antimalarial activity against drug‐resistant Plasmodium falciparum

LS Feng, Z Xu, L Chang, C Li, XF Yan… - Medicinal Research …, 2020 - Wiley Online Library
Malaria is a tropical disease, leading to around half a million deaths annually. Antimalarials
such as quinolines are crucial to fight against malaria, but malaria control is extremely …

Novel hybrids of quinoline with pyrazolylchalcones as potential antimalarial agents: synthesis, biological evaluation, molecular docking and ADME prediction

A Kumar, S Jain, S Chauhan, S Aggarwal… - Chemico-Biological …, 2023 - Elsevier
A novel series of pyrazolyl chalcones containing quinoline scaffold, 5 av has been
synthesized by Claisen Schimdt condensation of aromatic acetophenone with 1-(4 …

Discovery of novel 1, 3, 5-triazine derivatives as potent inhibitor of cervical cancer via dual inhibition of PI3K/mTOR

J Hu, Y Zhang, N Tang, Y Lu, P Guo, Z Huang - Bioorganic & Medicinal …, 2021 - Elsevier
This study describes the synthesis of novel 1, 3, 5-triazine derivatives as potent inhibitors of
cervical cancer. The compounds were initially tested for inhibition of PI3K/mTOR, where they …

[PDF][PDF] Antimalarial flavonoid-glycoside from acacia pennata with inhibitory potential against PfDHFR-TS: an in-silico study

JH Zothantluanga, SK Aswin, M Rudrapal… - Biointerface Res. Appl …, 2021 - researchgate.net
Drug resistance, toxicity, and adverse effects of current antimalarial drugs have mandated
the need to search for newer antimalarial agents. The present study aims to identify …

Recent advances in the discovery of novel antiprotozoal agents

SM Lee, MS Kim, F Hayat, D Shin - Molecules, 2019 - mdpi.com
Parasitic diseases have serious health, social, and economic impacts, especially in the
tropical regions of the world. Diseases caused by protozoan parasites are responsible for …

The chemistry of triazine isomers: structures, reactions, synthesis and applications

N Kushwaha, CS Sharma - Mini reviews in medicinal chemistry, 2020 - ingentaconnect.com
Triazine is the six-membered heterocyclic ring containing three nitrogens, which replace the
carbon-hydrogen unit in the benzene ring. Based on nitrogen position present in the ring …

Sulfonamide-1, 3, 5-triazine–thiazoles: discovery of a novel class of antidiabetic agents via inhibition of DPP-4

HD Gao, P Liu, Y Yang, F Gao - RSC advances, 2016 - pubs.rsc.org
Dipeptidyl peptidase-4 (DPP-4) inhibitors are a novel class of antidiabetic drugs used for
treating type 2 diabetes mellitus. In the present study, a novel hybrid sulphonamide-1, 3, 5 …

Heterocyclic compounds bearing triazine scaffold and their biological significance: A review

T Verma, M Sinha, N Bansal - Anti-Cancer Agents in Medicinal …, 2020 - ingentaconnect.com
Benzene is a six-membered hydrocarbon ring system and if three carbon-hydrogen units of
benzene ring are replaced by nitrogen atoms then triazine is formed. Triazines are present …

Spotlight on 4‐substituted quinolines as potential anti‐infective agents: Journey beyond chloroquine

A Goyal, H Kharkwal, M Piplani, Y Singh… - Archiv der …, 2023 - Wiley Online Library
Continued emerging resistance of pathogens against the clinically approved candidates and
their associated limitations continuously demand newer agents having better potency with a …