This is the first systematic SAR study directly comparing the anticancer and antipathogenic activities of flavagline derivatives, or any other known translation inhibitors, or any other known translation inhibitors.
D. Vrubliauskas, J. Yahuafai, Nathakorn Nuntapong et al.· European journal of medicina...· 0 citations
Nine saturated anacardic acid derivatives were synthesized, well-characterized, and evaluated for their inhibitory activity against AG, finding 10 to be a potent α-glucosidase inhibitor with an IC50 of 0.24 µM, significantly surpassing the reference antidiabetic drug acarbose.
Van-Can Pham, T. Aree, Aamir Aman et al.· Medicinal Chemistry Research· 0 citations
Metal–organic framework (MOF) catalysts are promising platforms for hydrogen energy systems, enabling CO2 conversion to formic acid (HCOOH), a liquid organic hydrogen carrier (LOHC) for hydrogen storage and release. Density functional theory (DFT) calculations (M06‐2X/6‐31G(d)/LANL2DZ) are performed to investigate CO2...
Pavee Apilardmongkol, Manussada Ratanasak, Sirilak Kongkaew et al.· Journal of Computational Che...· 0 citations
Twenty-four pinostrobin hydrazone derivatives (TN01–TN24) were synthesized through two continuous steps from pinostrobin, hydrazone, and aldehyde derivatives, well characterized and screened for inhibitory activity against yeast α-glucosidase (Saccharomyces cerevisiae). To further expand the chemical space, a QSAR-gu...
The Thanh Ngo, Borwornlak Toopradab, K. Hengphasatporn et al.· ACS Omega· 0 citations
Background/Objectives: SARS-CoV-2, the causative agent of COVID-19, relies on its main protease (Mpro) for viral replication, making this enzyme an attractive target for antiviral drug development. In the present study, we investigated whether a library of previously synthesized thiazole/benzothiazole-based thiazolidin...
A. Petrou, Aliki Papadimitriou-Tsantarliotou, Hathaichanok Chuntakaruk et al.· The biochemist· 0 citations
It is suggested that ISO and SOP are promising candidates for SARS-CoV-2 Mpro inhibition, warranting further validation through in vitro and in vivo studies.
Thitiya Boonma, B. Nutho, Bunleu Sungthong et al.· Chemical Monthly· 0 citations
INTRODUCTION/OBJECTIVE
Quantitative Structure-Activity Relationship (QSAR) modeling is a critical computational strategy in drug discovery; however, data heterogeneity and experimental noise frequently compromise model reliability. In this study, QSAR models were developed to predict the inhibitory activity of 9,10-dih...
Sopon Wiriyarattanakul, P. Maitarad, Rong-Rong Jia et al.· Current Computer - Aided Dru...· 0 citations
Fluoroacetate dehalogenase (FAcD) is a unique, nonmetal-dependent enzyme capable of cleaving the inert C-F bond of fluoroacetate (FA) under mild conditions, making it an important enzymatic model for organofluorine degradation. This study investigated the catalytic degradation mechanism of FA by FAcD using density func...
Manussada Ratanasak, Yuta Hori, Kohei Sato et al.· Journal of Physical Chemistr...· 0 citations
DNA topoisomerase IIα (Topo IIα) is essential for maintaining genomic stability during DNA replication and mitosis and is highly expressed in cancer cells, making it a promising target for anticancer therapy. In this study, bis-thiourea derivatives were investigated for their Topo IIα inhibitory activity and anticancer...
Results show that sequence changes outside the binding site can modulate ligand binding indirectly, and that the ligand interaction network is useful for evaluating edited aptamers.
Aamir Aman, Leonhard Sidl, Nitchakan Darai et al.· International Journal of Mol...· 0 citations
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