Design and synthesis of benzimidazole-chalcone derivatives as potential anticancer agents
Numerous reports have shown that conjugated benzimidazole derivatives possess various
kinds of biological activities, including anticancer properties. In this report, we designed and …
kinds of biological activities, including anticancer properties. In this report, we designed and …
Efficient cocrystal coformer screening based on a Machine learning Strategy: A case study for the preparation of imatinib cocrystal with enhanced physicochemical …
Cocrystal engineering, which involves the self-assembly of two or more components into a
solid-state supramolecular structure through non-covalent interactions, has emerged as a …
solid-state supramolecular structure through non-covalent interactions, has emerged as a …
New quinoline-arylamidine hybrids: Synthesis, DNA/RNA binding and antitumor activity
Four series of new hybrid molecules with 7-chloroquinoline and arylamidine moieties joined
through the rigid-O-(groups I (2a-g) and II (5a-g)) or flexible-NH-CH 2-CH 2-O-(groups III (8a …
through the rigid-O-(groups I (2a-g) and II (5a-g)) or flexible-NH-CH 2-CH 2-O-(groups III (8a …
Deep eutectic solvents as convenient media for synthesis of novel coumarinyl Schiff bases and their QSAR studies
Deep eutectic solvents, as green and environmentally friendly media, were utilized in the
synthesis of novel coumarinyl Schiff bases. Novel derivatives were synthesized from 2-((4 …
synthesis of novel coumarinyl Schiff bases. Novel derivatives were synthesized from 2-((4 …
SnCl 2-catalyzed synthesis of dihydro-5 H-benzo [f] pyrazolo [3, 4-b] quinoline and dihydroindeno [2, 1-b] pyrazolo [4, 3-e] pyridine with high fluorescence and their …
S Manickam, U Balijapalli… - New Journal of …, 2018 - pubs.rsc.org
A series of high-performance chromophores, namely pyrazoloquinoline-and
pyrazolopyridine-based derivatives bearing donor–acceptor (D–A) substituent groups on the …
pyrazolopyridine-based derivatives bearing donor–acceptor (D–A) substituent groups on the …
[HTML][HTML] The potential of Eucheuma cottonii extract as a candidate for fish anesthetic agent
Red seaweed species Eucheuma cottonii was thought to have potential as an anesthetic
agent because it is shown to contain compounds with bioactivity as antimicrobial, antifungal …
agent because it is shown to contain compounds with bioactivity as antimicrobial, antifungal …
Design of potential anti-tumor PARP-1 inhibitors by QSAR and molecular modeling studies
Z Abbasi-Radmoghaddam, S Riahi, S Gharaghani… - Molecular Diversity, 2021 - Springer
Abstract Poly ADP-ribose polymerase-1 (PARP-1) inhibitors have been recognized as new
agents for the treatment of patients with breast cancer type 1 (BRCA1) disorders. The …
agents for the treatment of patients with breast cancer type 1 (BRCA1) disorders. The …
Design, Synthesis, In Vitro Cytotoxicity, ADME Prediction, and Molecular Docking Study of Benzimidazole-Linked Pyrrolone and N-Benzylpyrrolone Derivatives
A series of benzimidazole-tethered pyrrolones and N-benzylpyrrolones were synthesized,
characterized, and explored for their in vitro anti-proliferative activities. The cytotoxicity of the …
characterized, and explored for their in vitro anti-proliferative activities. The cytotoxicity of the …
HATS5m as an Example of GETAWAY Molecular Descriptor in Assessing the Similarity/Diversity of the Structural Features of 4-Thiazolidinone
M Zapadka, P Dekowski, B Kupcewicz - International Journal of …, 2022 - mdpi.com
Among the various methods for drug design, the approach using molecular descriptors for
quantitative structure–activity relationships (QSAR) bears promise for the prediction of …
quantitative structure–activity relationships (QSAR) bears promise for the prediction of …
A simple and robust model to predict the inhibitory activity of α-glucosidase inhibitors through combined QSAR modeling and molecular docking techniques
E Izadpanah, S Riahi, Z Abbasi-Radmoghaddam… - Molecular Diversity, 2021 - Springer
Quantitative structure–activity relationships (QSAR) and molecular docking studies have
been performed on a series of 35 α-glucosidase inhibitory derivatives. The QSAR models …
been performed on a series of 35 α-glucosidase inhibitory derivatives. The QSAR models …