Fragment-based drug design, 2D-QSAR and DFT calculation: Scaffolds of 1, 2, 4, triazolo [1, 5-a] pyrimidin-7-amines as potential inhibitors of Plasmodium falciparum …

O Iwaloye, OO Elekofehinti, F Olawale… - Letters in Drug …, 2023 - benthamdirect.com
Background: Plasmodium falciparum dihydroorotate dehydrogenase (PfDODH) is one of the
enzymes currently explored in the treatment of malaria. Although there is currently no …

Synthesis, molecular docking and anticancer activity of diflunisal derivatives as cyclooxygenase enzyme inhibitors

GP Coşkun, T Djikic, TB Hayal, N Türkel, K Yelekçi… - Molecules, 2018 - mdpi.com
Cyclooxygenase enzymes play a vital role in inflammatory pathways in the human body.
Apart from their relation with inflammation, the additional involvement of COX-2 enzyme with …

Design, synthesis, and in vitro and in vivo anticancer activity studies of new (S)-Naproxen thiosemicarbazide/1, 2, 4-triazole derivatives

Mİ Han, CÜ Tunç, P Atalay, Ö Erdoğan, G Ünal… - New Journal of …, 2022 - pubs.rsc.org
In this study, a series of novel (S)-Naproxen derivatives bearing a thiosemicarbazide/1, 2, 4-
triazole moiety were designed, synthesized, and evaluated for anticancer activity. The …

Design, synthesis, and in-Silco ADME prediction of some novel bis (1, 3, 4-thiadiazoles) encapsulated lipid chitosan nano capsule decorative with magnetic …

ME Salem, AHM Elwahy, HM Hassaneen… - International Journal of …, 2025 - Elsevier
Helicobacter pylori (H. pylori) is an extremely prevalent human pathogen globally that leads
to severe illnesses. Sadly, the worldwide issue of H. pylori's resistance to antimicrobial …

Synthesis, Biological Evaluation and Molecular Docking of Deferasirox and Substituted 1, 2, 4‐Triazole Derivatives as Novel Potent Urease Inhibitors: Proposing …

R Salehi Ashani, H Azizian… - Chemistry & …, 2020 - Wiley Online Library
A series of new deferasirox derivatives were synthesized through the reaction of
monosubstituted hydrazides with 2‐(2‐hydroxyphenyl)‐4H‐benzo [e][1, 3] oxazin‐4‐one …

[PDF][PDF] Molecular Docking of Anti Helicobacter pylori Antibiotics and Proton Pump Inhibitor: A Single Center Survey.

K Uthansingh, R Kumari, GK Pati… - Journal of Pure & …, 2021 - researchgate.net
Cancer (GC) related mortality. The present study aimed to screen all the anti-microbial drugs
used to eradicate H. pylori infection and to identify the most efficient drug by using …

Design, Synthesis, and Anti-Bacterial Evaluation of Tetrahydrobenzothiophene Derivatives as Lipopolysaccharide Biogenesis Inhibitors

S Pei, J Yang, S Xia, S Tang, K Yuan… - Letters in Drug Design …, 2023 - ingentaconnect.com
Background: Bacterial infections caused by multidrug-resistant bacteria have emerged as
major threats to human communities worldwide. There is a great need to develop new …

Molecular modelling studies to suggest novel scaffolds against SARS-CoV-2 target enzymes.

AF ŞAHİN, ŞG KÜÇÜKGÜZEL… - Journal of Research in …, 2021 - search.ebscohost.com
In this study, molecular modelling study of previously synthesized compounds against SARS-
CoV-2 target enzyme was performed. A subset of 156 compounds from an in-house …

İbuprofenden hareketle tiyoeter grubu içeren 1, 2, 4-triazol türevlerinin sentezi ve antikanser etkilerinin incelenmesi

B Bülbül - 2019 - search.proquest.com
Amaç: Tezimizin amacı İbuprofenden hareketle sentezlenecek 1, 2, 4-triazol türevi tiyoeter
moleküllerinin yapılarının spektral yöntemlerle doğrulanması ve olası antikanser etkilerinin …