Browsing by Author "Saripinar, Emin"

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Synthesis, Biological Activity Evaluation and Molecular Docking of Imidazole Derivatives Possessing Hydrazone Moiety
(Wiley-VCH Verlag GmbH, 2023) Kekecmuhammed, Huseyin; Tapera, Michael; Aydogdu, Ekrem; Saripinar, Emin; Karatas, Elanur Aydin; Uc, Eda Mehtap; Ilhan, Ilhan Ozer
In an attempt to identify potential active anticancer agents with low cytotoxic properties and CA inhibitors, a new series of hybrid compounds incorporating imidazole ring and hydrazone moiety as part of their structure were synthesized by aza-Michael addition reaction followed by intramolecular cyclization. The structure of synthesized compounds was elucidated using various spectral techniques. Synthesized compounds were evaluated for their in vitro anticancer (prostate cell lines; PC3) and CA inhibitory (hCA I and hCA II) activity. Among them, some compound displayed remarkable anticancer activity and CA inhibitory activity with K-i values in range of 17.53 +/- 7.19-150.50 +/- 68.87 nM against cytosolic hCA I isoform associated with epilepsy, and 28.82 +/- 14.26-153.27 +/- 55.80 nM against dominant cytosolic hCA II isoforms associated with glaucoma. Furthermore, the theoretical parameters of the bioactive molecules were calculated to establish their drug-likeness qualities. The proteins used for the calculations are prostate cancer protein (PDB ID: 3RUK and 6XXP). ADME/T analysis was carried out to examine the drug properties of the studied molecules.
Synthesis, Biological Evaluation, Antiproliferative Activity, and Computational Insights of Carboxamide Derivatives: A Computational and Experimental Approach
(Wiley, 2026) Anber, Anber M.; Kekecmuhammed, Huseyin; Kul, Ilayda Bersu; Tapera, Michael; Akyuz, Mesut; Karatas, Elanur Aydin; Saripinar, Emin
The discovery of therapeutic agents is important for cancer treatment. Although dozens of agents have been used in cancer treatments, cancer continues to be a serious disease with a high mortality rate. There is an urgent need for the discovery of new anticancer agents, especially for the long-term treatment of prostate cancer. Thanks to the expansion of cancer-related data, we now can synthesize new therapeutic agents using biological methods. Carboxamide derivatives (5a-r compounds) were synthesized as a potential anticancer agent. Cell proliferation assays showed that they had antiproliferative activity against the human prostate cancer cell line PC3, particularly at the 25 mu M dose. In summary, our findings revealed that 5g-l and 5m-r groups are effective agents against the prostate cancer cell line. In conclusion, Gaussian calculations were carried out in order to investigate carboxamide derivatives (5a-r compounds) at the B3LYP, HF, and M062X levels, using the 6-31++g(d,p) basis set. Molecular docking calculations were carried out on a variety of proteins, including the protein that is associated with prostate cancer (PDB ID: 3RUK and 3A99). Calculations using the ADME/T method are carried out in order to investigate the potential effects and reactions of these medicines on human metabolism.