Synthesis, molecular docking, and preliminary cytotoxicity study of some novel 2-(naphthalen-1-yl)-methylimidazo[2,1-b][1,3,4]thiadiazoles
Yazarlar (10)
Choodamani B Kle College Of Pharmacy, Bengaluru, Hindistan
Sujeet Kumar
Kle College Of Pharmacy, Bengaluru, Hindistan
Kle College Of Pharmacy, Bengaluru, Hindistan
Alok Kumar Gupta Kle College Of Pharmacy, Bengaluru, Hindistan
Dominique Schols Departement Microbiologie, Immunologie En Transplantatie, Belçika
Hakan Tahtacı Karabük Üniversitesi, Türkiye
Prof. Dr. Tuncay KARAKURT Kırşehir Ahi Evran Üniversitesi, Türkiye
Satvik Kotha Government College Of Pharmacy, Hindistan
Swapna B
Government College Of Pharmacy, Hindistan
Government College Of Pharmacy, Hindistan
Ramachandra Setty
Government College Of Pharmacy, Hindistan
Government College Of Pharmacy, Hindistan
Subhas S. Karki Kle College Of Pharmacy, Bengaluru, Hindistan
| Makale Türü |
Özgün Makale
(SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale)
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| Dergi Adı | Journal of Molecular Structure (Q3) | ||
| Dergi ISSN | 0022-2860 Wos Dergi Scopus Dergi | ||
| Dergi Tarandığı Indeksler | SCI-Expanded | ||
| Makale Dili | İngilizce | Basım Tarihi | 03-2021 |
| Kabul Tarihi | 12-04-2026 | Yayınlanma Tarihi | – |
| Cilt / Sayı / Sayfa | 1234 / 1 / 130174–0 | DOI | 10.1016/j.molstruc.2021.130174 |
| Makale Linki | http://dx.doi.org/10.1016/j.molstruc.2021.130174 | ||
| Özet |
| A series of 2-(naphthalen-1-yl)-methyl-6-arylimidazo[2,1-b][1,3,4]thiadiazole derivatives was prepared and studied for cytotoxicity against murine leukemia L1210, human cervix carcinoma HeLa, and human T-lymphocyte CEM cell lines. The preliminary study showed that compounds 5g, 6g, 7a-c, 7e, and 8e were more potent among the tested compounds. The pharmacokinetic properties of all compounds were then investigated with FAF-Drugs, a tool for prediction of ADME and toxicity. Finally, in order to support in vitro studies, molecular docking studies were performed by using AutoDock Vina with a Lamarckian genetic algorithm to determine whether or not the synthesized compounds could be used as inhibitors for the protein structure 1m17 (EGFR). The docking scores of many compounds were found to be higher than [6,7-bis(2-methoxy-ethoxy)quinazoline-4-yl]-(3-ethynyl phenyl)amine, an inhibitor of the 1m17 … |
| Anahtar Kelimeler |
| ADME | Cytotoxicity | Imidazo[2,1-b][1,3,4]thiadiazole | Levamisole | Melphalan | Molecular docking | Molecular dynamics |
Science Direct
Synthesis, molecular docking, and preliminary cytotoxicity study of some novel 2-(naphthalen-1-yl)-methylimidazo[2,1-b][1,3,4]thiadiazoles
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| Google Scholar | 14 |
| Scopus | 9 |
| Web of Science | 11 |