dc.contributor.author | Hassan, MennaAllah | |
dc.contributor.author | El-Faham, Ayman | |
dc.contributor.author | Barakat, Assem | |
dc.contributor.author | Haukka, Matti | |
dc.contributor.author | Tatikonda, Rajendhraprasad | |
dc.contributor.author | Abu-Youssef, Morsy A. M. | |
dc.contributor.author | Soliman, Saied M. | |
dc.contributor.author | Yousri, Amal | |
dc.date.accessioned | 2024-08-20T08:50:23Z | |
dc.date.available | 2024-08-20T08:50:23Z | |
dc.date.issued | 2024 | |
dc.identifier.citation | Hassan, M., El-Faham, A., Barakat, A., Haukka, M., Tatikonda, R., Abu-Youssef, M. A. M., Soliman, S. M., & Yousri, A. (2024). Synthesis, X-ray Structure, Cytotoxic, and Anti-Microbial Activities of Zn(II) Complexes with a Hydrazono s-Triazine Bearing Pyridyl Arm. <i>Inorganics</i>, <i>12</i>(7), Article 176. <a href="https://doi.org/10.3390/inorganics12070176" target="_blank">https://doi.org/10.3390/inorganics12070176</a> | |
dc.identifier.other | CONVID_220825389 | |
dc.identifier.uri | https://jyx.jyu.fi/handle/123456789/96681 | |
dc.description.abstract | The [ZnL(ONO2)2] 1 and [ZnL(NCS)2] 2 complexes were synthesized using self-assembly of the s-triazine tridentate ligand (L) with Zn(NO3)2·6H2O and Zn(ClO4)2·6H2O/NH4SCN, respectively. The Zn(II) is further coordinated by two nitrate and two isothiocyanate groups as monodentate ligands in 1 and 2, respectively. Both complexes have distorted square pyramidal coordination environments where the extent of distortion is found to be greater in 2 (τ5 = 0.41) than in 1 (τ5 = 0.28). Hirshfeld calculations explored the significant C···O, C···C, N···H, and O···H contacts in the molecular packing of both complexes. The energy framework analysis gave the total interaction energies of −317.8 and −353.5 kJ/mol for a single molecule in a 3.8 Å cluster of 1 and 2, respectively. The total energy diagrams exhibited a strong resemblance to the dispersion energy frameworks in both complexes. NBO charge analysis predicted the charges of the Zn(II) in complexes 1 and 2 to be 1.217 and 1.145 e, respectively. The electronic configuration of Zn1 is predicted to be [core] 4S0.32 3d9.98 4p0.45 4d0.02 5p0.01 for 1 and [core] 4S0.34 3d9.97 4p0.53 4d0.02 for 2. The increased occupancy of the valence orbitals is attributed to the donor→acceptor interactions from the ligand groups to Zn(II). The Zn(II) complexes were examined for their cytotoxic and antimicrobial activities. Both 1 and 2 have good cytotoxic efficiency towards HCT-116 and A-549 cancerous cell lines. We found that 1 is more active (IC50 = 29.53 ± 1.24 and 35.55 ± 1.69 µg/mL) than 2 (IC50 = 41.25 ± 2.91 and 55.05 ± 2.87 µg/mL) against both cell lines. Also, the selectivity indices for the Zn(II) complexes are higher than one, indicating their suitability for use as anticancer agents. In addition, both complexes have broad-spectrum antimicrobial activity (IC50 = 78–625 μg/mL) where the best result is found for 2 against P. vulgaris (IC50 = 78 μg/mL). Its antibacterial activity is found to be good compared to gentamycin (5 μg/mL) as a positive control against this microbe. | en |
dc.format.mimetype | application/pdf | |
dc.language.iso | eng | |
dc.publisher | MDPI | |
dc.relation.ispartofseries | Inorganics | |
dc.rights | CC BY 4.0 | |
dc.subject.other | s-Triazine | |
dc.subject.other | Zn(II) | |
dc.subject.other | X-ray structure | |
dc.subject.other | energy framework | |
dc.subject.other | NBO | |
dc.subject.other | cytotoxicity | |
dc.subject.other | antimicrobial | |
dc.title | Synthesis, X-ray Structure, Cytotoxic, and Anti-Microbial Activities of Zn(II) Complexes with a Hydrazono s-Triazine Bearing Pyridyl Arm | |
dc.type | article | |
dc.identifier.urn | URN:NBN:fi:jyu-202408205575 | |
dc.contributor.laitos | Kemian laitos | fi |
dc.contributor.laitos | Department of Chemistry | en |
dc.type.uri | http://purl.org/eprint/type/JournalArticle | |
dc.type.coar | http://purl.org/coar/resource_type/c_2df8fbb1 | |
dc.description.reviewstatus | peerReviewed | |
dc.relation.issn | 2304-6740 | |
dc.relation.numberinseries | 7 | |
dc.relation.volume | 12 | |
dc.type.version | publishedVersion | |
dc.rights.copyright | © 2024 by the authors. Licensee MDPI, Basel, Switzerland. | |
dc.rights.accesslevel | openAccess | fi |
dc.subject.yso | antimikrobiset yhdisteet | |
dc.subject.yso | kemiallinen synteesi | |
dc.subject.yso | kompleksiyhdisteet | |
dc.subject.yso | bioaktiiviset yhdisteet | |
dc.subject.yso | sinkki (metallit) | |
dc.format.content | fulltext | |
jyx.subject.uri | http://www.yso.fi/onto/yso/p21949 | |
jyx.subject.uri | http://www.yso.fi/onto/yso/p8468 | |
jyx.subject.uri | http://www.yso.fi/onto/yso/p30190 | |
jyx.subject.uri | http://www.yso.fi/onto/yso/p28433 | |
jyx.subject.uri | http://www.yso.fi/onto/yso/p15062 | |
dc.rights.url | https://creativecommons.org/licenses/by/4.0/ | |
dc.relation.doi | 10.3390/inorganics12070176 | |
jyx.fundinginformation | The authors would like to extend their sincere appreciation to the Researchers Supporting Project (RSP2024R64), King Saud University, Riyadh, Saudi Arabia. | |
dc.type.okm | A1 | |