Another important results were obtained in the course of the research on the topic “Synthesis and biological studies of new chalcone, semicarbazone, thiosemicarbazone and indolone derivatives based on acetophenone: structure-activity relationship, molecular addition, molecular dynamics and kinetic studies”, conducted at the international level by scientists of the Institute of Chemistry of Additives named after Academician Ali Guliyev of the Ministry of Science and Education of the Republic of Azerbaijan together with colleagues from Baku State University and Ataturk and Bartin Universities.
According to the information of the public relations department of the institute, the studies included in vitro enzyme inhibition studies on the enzymes AChE, BChE and α-Gly. Additionally, their antioxidant activity was assessed. It was found that the new compounds demonstrated significant inhibition of all three enzymes, while other compounds demonstrated varying degrees of enzyme inhibition and antioxidant activity. Molecular docking studies were performed to elucidate the potential binding and interaction modes of the synthesized compounds with the target enzymes (hAChE, hBChE and α-Gly). ADME predictions showed favorable pharmacokinetic properties and drug-like properties for all compounds, confirming their potential as orally active agents. Some compounds stand out as multi-target drugs with potent inhibition of key enzymes involved in neurodegenerative diseases and diabetes, and are reported to have therapeutic potential in these conditions.
It is noted in the information that these important results have been published as a detailed research article in the journal “Journal Molecular Structure” of the world-famous publishing house “Elsevier” with an impact factor of 4.0 category Q2 archived in the “Web of Science” database (Aynur Farzaliyeva, Khalil Şenol, Parham Taslimi, Furkan Çakır, Vagif Farzaliyev, Nastaran Sadeghyan, Ibrahim Mammadov, Afsun Sujayev, Abel Maharramov, Saleh Alvasel, Ilhami Gulçin, Synthesis and biological studies of novel chalcone, semicarbazone, thiosemicarbazone and indolone derivatives from acetophenone: structure-activity relationship, molecular docking, molecular dynamics and kinetic studies, Journal of Molecular Structure, 2024, 140197, https://doi.org/10.1016/j.molstruc.2024.140197).