Design, synthesis, biological evaluation, molecular docking, DFT calculations and in silico ADME analysis of (benz) imidazole-hydrazone derivatives as promising …

IA Khodja, H Boulebd, C Bensouici… - Journal of Molecular …, 2020 - Elsevier
… In this paper, ten hydrazone derivatives bearing an imidazole or benzimidazole nucleus
have been designed, synthesized and evaluated for their antioxidant, antifungal, and anti-…

Synthesis, Biological Activity Evaluation and Molecular Docking of imidazole derivatives possessing hydrazone moiety

H Kekeçmuhammed, M Tapera… - Chemistry & …, 2023 - Wiley Online Library
… are called ADME/T analysis. With this analysis, both chemical and biological properties of
molecules are examined. All calculated parameters are given in Table 4. With this analysis, it …

Molecular hybrids integrated with imidazole and hydrazone structural motifs: Design, synthesis, biological evaluation, and molecular docking studies

M Tapera, H Kekeçmuhammed, E Sarıpınar… - Journal of Molecular …, 2023 - Elsevier
… Finally, the Qik-prop module of the Schrödinger software was used while performing ADME/T
analysis (absorption, distribution, metabolism, excretion, and toxicity) in order to examine …

… mechanical, virtual screening, molecular docking, molecular dynamics, ADME and antimicrobial activity studies of some new indole-hydrazone derivatives as potent …

M Erol, I Celik, U Ince, H Fatullayev… - Journal of …, 2022 - Taylor & Francis
… In this study, a new series of indole-5-carbaldehyde hydrazone … The theoretical ADME
profiles of all compounds were … both MEP analysis and geometric optimization analysis for 5i12 …

Investigation of Newly Synthesized Fluorinated Isatin-Hydrazones by In Vitro Antiproliferative Activity, Molecular Docking, ADME Analysis, and e-Pharmacophore …

E Başaran, S Köprü, S Akkoç… - ACS Omega, 2024 - ACS Publications
… modeling, spectroscopic analysis, molecular docking, and ADME studies. Fifteen …
further analyzed by using the ADME parameters. This study suggests that fluorinated isatin-hydrazone

Synthesis, characterization, PASS analysis and ADMET properties of oxazolone ring containing hydrazone derivatives

P Vijaya, G Sundaraselvan - Materials Today: Proceedings, 2022 - Elsevier
… were examined for ADME and only few … hydrazones and evaluated in-vitro antibacterial
activity, most of the compounds possess better activity [7]. Hydrazones bearing imidazole

Synthesis, carbonic anhydrase inhibitory activity, anticancer activity and molecular docking studies of new imidazolyl hydrazone derivatives

M Tapera, H Kekeçmuhammed, B Tüzün… - Journal of molecular …, 2022 - Elsevier
… their drug-likeness qualities and ADME/T analysis was carried out to examine the drug …
hydrazone and imidazole were combined in one molecule and a series of imidazolyl hydrazone

Design, synthesis and molecular docking and ADME studies of novel hydrazone derivatives for AChE inhibitory, BBB permeability and antioxidant effects

D Osmaniye, I Ahmad, BN Sağlık, S Levent… - Journal of …, 2023 - Taylor & Francis
… In this work, 10 new hydrazones (3a–3j) were designed and … It is seen that the carbonyl
group of hydrazones is also very … of Tyr337 and the imidazole ring of His447 for compound 3j. …

THEORETICAL ELECTRONIC PROPERTIES, ADMET PREDICTION, and MOLECULAR DOCKING STUDIES of SOME IMIDAZOLE DERIVATIVES

SÇ Yavuz - Journal of Scientific Reports-A - dergipark.org.tr
… , molecular modeling, and ADME predictions have been … It was done molecular docking
analysis of the imidazole … among the NH of the hydrazone and the carbonyl groups of …

α-amylase Inhibition and In Silico Studies of Novel Naphtho[2,3-d]imidazole-4,9-Dione Linked N-acyl Hydrazones

M Devi, P Kumar, R Singh, J Sindhu… - Future Medicinal …, 2023 - Taylor & Francis
… predicted ADME analysis of naphtho[2,3-d]imidazole-4,9-dione attached N-acyl hydrazones
are … dosage, a high-quality drug candidate should also have suitable ADME characteristics. …