Synthesis, characterization, antimicrobial activity, carbonic anhydrase enzyme inhibitor effects, and computational studies on new Schiff bases of Sulfa drugs and their Pd(II), Cu(II) complexes

Alyar, Saliha; Şen, Cihan; Alyar, Hamit; Adem, Şevki; Kalkancı, Ayşe; Özdemir, Uğur

doi:10.1016/j.molstruc.2018.06.004

Cited by 44 publications

(10 citation statements)

References 49 publications

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“…Up to now, it was also reported that so many compounds such as hydroxyl and phenolic compounds, tetra-pyridine-triazole-substituted phthalocyanines, some uracil derivatives, acridine bissulfonamides, 1,3-bis-chalcone derivatives, pyrazole derivatives, 5-methyl-2,4-dihydro-3H-1,2,4triazole-3-one's aryl Schiff base derivatives, ureido benzenesulfonamides, chalcone substituted benzenesulfonamides, chalcones derivatives bearing morpholine moiety, Schiff bases of sulfa drugs, and alicilaldehyde-N-methylp-toluenesulfonylhydrazone were inhibited hCAs (Alyar and Adem, 2014;Esirden et al, 2015;Arslan et al, 2016;Salmas et al, 2016;Turkoglu et al, 2017;Alyar et al, 2018;Kursun Aktar et al, 2018;Lolak et al, 2019;Ozil et al, 2019;Turkan et al, 2019;Tutar et al, 2019;Arslan et al, 2020). Common CAIs such as acetazolamide (AAZ), celecoxib (CLX), ethoxzolamide (EZA), and methazolamide (MZA) have been reported as useful drugs in the treatment of many diseases such as glaucoma, edema, osteoporosis, idiopathic intracranial hypertension (Ahlskog et al, 2009).…”

Section: Resultsmentioning

confidence: 99%

Effects of 4-Ethyl Resorcinol and 5-Methylresorcinol on Human Carbonic Anhydrase-I and Molecular Docking Study

Güller

2021

Iğdır Üniversitesi Fen Bilimleri Enstitüsü Dergisi

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Carbonic Anhydrase-I (CA-I) is the most abundant CA isozyme expressed in human erythrocytes and the gastrointestinal (GI) tract. CA-I acts in promoting biocalcification. It is well known that inhibitors of carbonic anhydrase (CAIs) are widely used in the remedy of some diseases such as edema, glaucoma, idiopathic intracranial hypertension, and osteoporosis. So, in this study, it was aimed to analyze primer effects of 4ethylresorcinol and 5-methylresorcinol on hCA-I and to clarify inhibition profiles of compounds. For this purpose, firstly hCA-I was isolated from human erythrocytes by affinity chromatography. Secondly, in vitro inhibition studies were performed and interactions between compounds and enzyme were explained via molecular docking study. Both 4-ethylresorcinol and 5-methylresorcinol inhibited the enzyme competitively with Ki constant of 0.81±0.23 and 0.79±0.14 µM. According to molecular docking analysis estimated free energy of binding of compounds were predicted as -4.81 and -4.51 kcal.mol -1 respectively.

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Section: Resultsmentioning

confidence: 99%

Effects of 4-Ethyl Resorcinol and 5-Methylresorcinol on Human Carbonic Anhydrase-I and Molecular Docking Study

Güller

2021

Iğdır Üniversitesi Fen Bilimleri Enstitüsü Dergisi

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“…Eurasian Chemical Communications applied in nonlinear optical materials [7], corrosion inhibitors [8], and synthesis of nano-compounds [9][10][11][12]. Some of them have also inhibitory activities against αglucosidase [13], carbonic anhydrase [14,15], urease [16], cholinesterase [17], glutathione reductase [18]. Schiff bases also serve as versatile ligands for coordinating a variety of transition metal ions in different coordination geometries and oxidation states [19,20].…”

Section: Original Research Articlementioning

confidence: 99%

Synthesis, characterization, and molecular structure investigation of new tetrahydrobenzo[b]thiophene-based Schiff bases: A combined experimental and theoretical study

2020

Eurasian Chem. Commun.

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Five new heterocyclic Schiff base derived from tetrahydrobenzo[b]thiophene were synthesized by condensation reaction of 2-amino-4, 5, 6, 7tetrahydrobenzo[b]thiophene-3-carbonitrile with aromatic aldehydes in dimethylformamide containing ZnCl2. The new Schiff bases were characterized on the basis of FT-IR, 1 H NMR, and 13 C NMR spectral data. In addition, the optimized geometries and assignment of the 1 H NMR chemical shifts of the synthesized compounds were computed using the density functional theory (DFT) approaches. Good agreement between the DFT-calculated 1 H NMR chemical shifts and the corresponding experimental values confirms suitability of the optimized geometries for the synthesized Schiff bases. Characteristics of the bonding interactions have been explored using the quantum theory of atoms in molecule (QTAIM) analysis.

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“…These coordination complexes are widely used in many fields. For example, because some Schiff bases have special physiological activity, more and more attentions have been paid in the medical field in recent years . Schiff base and its complexes are also widely applied in the field of catalysis .…”

Section: Introductionmentioning

confidence: 99%

Insight into Coordination of Uranyl Ions with N,N′‐bis(2‐five‐membered heterocyclidene)‐1,8‐anthradiamines

Long

Peng

et al. 2019

Applied Organom Chemis

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To find new adsorbents for uranyl ions, the density functional theory (DFT) was adopted to design a series of new ligands containing an anthracene and two five-membered heterocycles with nitrogen family nonmetal elements (N, P, As) or oxygen family nonmetal elements (O, S, Se, Te), for example, ligands N,N′-bis(2-five-membered heterocyclidene)-1,8-anthradiamines (BFHADAs).Then the uranyl ions were coordinated with BFHADAs to generate five new coordination complexes (Uranyl-BFHADAs) with heteroatoms N, S, As, Se and Te, respectively. The five-membered heterocyclic rings of Uranyl-BFHADA with oxygen atoms were broken under the structural optimization and Uranyl-BFHADA with heterocyclic atoms P was not obtained. Several structures and property parameters of the ligands BFHADAs (containing heteroatoms N, S, As, Se and Te) and their uranyl complexes Uranyl-BFHADAs were theoretically investigated and analyzed. The results showed that uranyl ions could form stable coordination complexes with these five BFHADAs.The formed bonds between uranyl ions and the heteroatoms in BFHADAs were coordination bonds rather than other types of bonds. These results could provide insightful information and theoretical guidance for the coordination of uranyl with the atoms N, S, Se, As and Te in other ligands.

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Synthesis, characterization, antimicrobial activity, carbonic anhydrase enzyme inhibitor effects, and computational studies on new Schiff bases of Sulfa drugs and their Pd(II), Cu(II) complexes

Cited by 44 publications

References 49 publications

Effects of 4-Ethyl Resorcinol and 5-Methylresorcinol on Human Carbonic Anhydrase-I and Molecular Docking Study

Effects of 4-Ethyl Resorcinol and 5-Methylresorcinol on Human Carbonic Anhydrase-I and Molecular Docking Study

Synthesis, characterization, and molecular structure investigation of new tetrahydrobenzo[b]thiophene-based Schiff bases: A combined experimental and theoretical study

Insight into Coordination of Uranyl Ions with N,N′‐bis(2‐five‐membered heterocyclidene)‐1,8‐anthradiamines

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