Linking azoles to isoniazid via hydrazone bridge: Synthesis, crystal structure determination, antitubercular evaluation and computational studies
Yazarlar (7)
Arş. Gör. Ebru Koçak Aslan Hacettepe Üniversitesi, Türkiye
Vagolu Siva Krishna
Universitetet İ Oslo, Norveç
Sanja J. Armakovic
University Of Novi Sad, Sırbistan
Stevan Armakovic
University Of Novi Sad, Sırbistan
Prof. Dr. Onur ŞAHİN Sinop Üniversitesi, Türkiye
Tone Tønjum Universitetet İ Oslo, Norveç
Prof. Dr. Miyase Gözde Gündüz Hacettepe Üniversitesi, Türkiye
Makale Türü Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale)
Dergi Adı Journal of Molecular Liquids (Q1)
Dergi ISSN 0167-7322 Dergi Bilgileri (2022)
Dergi Tarandığı Indeksler SCI-Expanded
Makale Dili Türkçe Basım Tarihi 05-2022
Kabul Tarihi Yayınlanma Tarihi 01-05-2022
Cilt / Sayı / Sayfa 354 / 1 / 118873–0 DOI 10.1016/j.molliq.2022.118873
Makale Linki http://dx.doi.org/10.1016/j.molliq.2022.118873
UAK Araştırma Alanları
Yoğun Madde Fiziği
Özet
The current emergence of drug-resistant and multidrug-resistant (MDR) Mycobacterium tuberculosis (Mtb) strains has complicated and hampered attempts to eliminate or considerably reduce the global prevalence of the often life-threatening disease tuberculosis (TB). Hence, the development of novel antitubercular agents is crucial to combat this challenge. Here, we applied the molecular hybridization approach to link isoniazid (INH), the frontline antitubercular drug, to various azole rings (pyrazole, imidazole, and triazole) through hydrazone functionality. The designed compounds were synthesized and characterized by using spectral techniques including IR, 1H NMR, 13C NMR and HRMS. Additionally, single crystal X-ray analysis was employed to resolve the proposed chemical structure of INH-T. All compounds were then extensively screened for their antitubercular activities against Mtb H37Rv, drug-resistant …
Anahtar Kelimeler
DFT | Interactions with water | Molecular dynamics | Molecular hybridization | Tuberculosis | X-ray analysis