Schiff base of isoniazid and ketoprofen: synthesis, X-ray crystallographic, spectroscopic, antioxidant, and computational studies

Naima REHMAN; Muhammad KHALID; Moazzam Hussain BHATTI; Uzma YUNUS; Ataualpa Albert Carmo BRAGA; Faiz AHMED; Syed Muddassir Ali MASHHADI; Muhammad Nawaz TAHIR

Makale detayları

Schiff base of isoniazid and ketoprofen: synthesis, X-ray crystallographic, spectroscopic, antioxidant, and computational studies

Yazarlar:

Naima REHMAN | Muhammad KHALID | Moazzam Hussain BHATTI | Uzma YUNUS | Ataualpa Albert Carmo BRAGA | Faiz AHMED | Syed Muddassir Ali MASHHADI | Muhammad Nawaz TAHIR

Yayıncı:

TUBITAK

Ana Başlıklar:

Uygulamalı fizik

Dergi:

Turkish Journal of Chemistry 2018 Vol.42 Issue 3, pp.639-651

Belge Tipi:

Makale

Yayın Tarihi:

5/2018

Belge Dili:

İngilizce

Document ID (Org No.):

2000726082

Sıklık:

İki Aylık

eISSN:

1303-6130

pISSN:

1300-0527

Özet:

 

Ketoprofen and isoniazid together are a potential   combination of a nonsteroidal antiinflammatory drug and an antitubercular   medicine to treat tuberculosis and associated symptoms like fever and   fatigue. The Schiff base of isoniazid with ketoprofen is synthesized in this   research. Infrared spectroscopy (IR) and X-ray diffraction (XRD) analysis of   the crystal packing proved the formation of the Schiff base and the   existence of N-H⋅⋅⋅⋅⋅⋅\cdot \cdot \cdot O hydrogen bonds between the   hydrogen-bonded dimer of the Schiff base. The complete geometrical   optimization of the monomer and hydrogen-bonded dimer of the Schiff base is   performed utilizing M06-2X/6-31G(d,p) level theory and compared with the   experimental data to optimize the molecular structure. The effect of   2,2-diphenyl-1-picrylhydrazyl (DPPH) radical scavenging activity shows that   the synthesized Schiff base has improved antioxidant activity. Molecular   docking studies against Mycobacterium tuberculosis (Mtb) RNA polymerase-related targets with PDB codes   2M6O and 4KBJ and lung surfactant protein A (SP-A) with PDB ID 5FFT suggest   that it can be screened as a potent drug against Mtb infection of the lungs.   Frontier orbital theory analysis shows a high energy gap between the HOMO   and LUMO, which suggests that the reported Schiff base might be a bioactive   compound. Different experimental (XRD, IR, thermal gravimetric analysis,   differential scanning calorimetry) and computational studies correlate and   validate findings related to this novel Schiff base.

Makale detayları

Schiff base of isoniazid and ketoprofen: synthesis, X-ray crystallographic, spectroscopic, antioxidant, and computational studies

Yazarlar: Naima REHMAN | Muhammad KHALID | Moazzam Hussain BHATTI | Uzma YUNUS | Ataualpa Albert Carmo BRAGA | Faiz AHMED | Syed Muddassir Ali MASHHADI | Muhammad Nawaz TAHIR

Yayıncı: TUBITAK

Ana Başlıklar: Uygulamalı fizik

Dergi: Turkish Journal of Chemistry 2018 Vol.42 Issue 3, pp.639-651

Belge Tipi: Makale

Yayın Tarihi: 5/2018

Belge Dili: İngilizce

Document ID (Org No.): 2000726082

Sıklık: İki Aylık

eISSN: 1303-6130

pISSN: 1300-0527

Sayı

Yazarlar:

Naima REHMAN | Muhammad KHALID | Moazzam Hussain BHATTI | Uzma YUNUS | Ataualpa Albert Carmo BRAGA | Faiz AHMED | Syed Muddassir Ali MASHHADI | Muhammad Nawaz TAHIR

Yayıncı:

TUBITAK

Ana Başlıklar:

Uygulamalı fizik

Dergi:

Turkish Journal of Chemistry 2018 Vol.42 Issue 3, pp.639-651

Belge Tipi:

Makale

Yayın Tarihi:

5/2018

Belge Dili:

İngilizce

Document ID (Org No.):

2000726082

Sıklık:

İki Aylık

eISSN:

1303-6130

pISSN:

1300-0527