Two novel imidazole derivatives – Combined experimental and computational study

Smitha, M.; Mary, Y. Sheena; Hossain, Mossaraf; Resmi, K.S.; Armaković, Sanja J.; Pavithran, Rani; Nanda, Ashis Kumar; Alsenoy, C. Van

doi:10.1016/j.molstruc.2018.06.110

Cited by 11 publications

(6 citation statements)

References 77 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…With the help of molecular docking procedure, interactions of these novel 2-chloroimidazole derivatives with particular protein have been explored by computationally. From the docking studies it was suggested that the selected compounds might demonstrate inhibitory activity capacity against APO-liver alcohol dehydrogenase inhibitor [50].…”

Section: Development Of the Synthesis Of Imidazolesmentioning

confidence: 99%

“…3-(2-alkyl-1H-imidazole-4-yl)-propionic acid derivatives and substituted ring -1H-imidazole-4-carboxylic acid derivatives.Ramya V et al developed a novel series of 5-(nitro/bromo)-styryl-2-benzimidazoles (1-12) derivatives and tested for in vitro anti-tubercular activity of these series against Mycobacterium tuberculosis and all these compounds responded good anti-tubercular activities. Streptomycin was used as a standard reference drug[50].…”

mentioning

confidence: 99%

See 1 more Smart Citation

A Review on Heterocyclic: Synthesis and Their Application in Medicinal Chemistry of Imidazole Moiety

Hossain¹,

Nanda²

2018

SJC

Self Cite

View full text Add to dashboard Cite

In an organic chemistry, largest families of organic compounds are belongs in the heterocyclic compounds. In our daily life important of heterocyclic compounds are of very essential. It has broad range of application in medicinal chemistry and in agrochemicals products. Applications are also found in as developers, as corrosion inhibitors, sanitizers, as copolymers, antioxidants, dye stuff. There is always an important thing about an efficient methodology for synthesizing of new heterocycles moiety. Now in literature survey reveals that more than 85-95% new drugs containing heterocycles which has bright scientific insight in the biological system. In this review work, I mainly focus such type of heterocycle and their families which has main utility in medicinal chemistry. In the recent past developments of imidazole-based compounds in the wide range of medicinal chemistry such as antihypertensive, antineuropathic, antitubercular, antiviral, anti-inflammatory, antibacterial, antiobesity, antiparasitic, antifungal, antihistaminic, anticancer, and other potential medicinal agents with their broad applications in pathology and diagnostics. Derivatives of imidazole have placed a unique position in the medicinal chemistry field. The involvement of the imidazole scaffold is a key of synthetic strategy in the drug discovery system. The imidazole moiety is a part of several important naturally occurring products, including histamine, purine, nucleic acid and histidine. It is expected that this brief review could be attractive for new thoughts from academia and pharmaceutical industries to designs of more biologically active and non-toxic imidazole-based drugs. The aims of this review work to the reported imidazole derivatives with pharmaceuticals activity during the past years.

show abstract

Section: Development Of the Synthesis Of Imidazolesmentioning

confidence: 99%

mentioning

confidence: 99%

A Review on Heterocyclic: Synthesis and Their Application in Medicinal Chemistry of Imidazole Moiety

Hossain¹,

Nanda²

2018

SJC

Self Cite

View full text Add to dashboard Cite

show abstract

“…HMY and HMM are prepared according to reported protocol [ 21 , 22 ]. Perkin Elmer spectrometer was used for FT-IR spectrum ( Figure 2 ) and Raman spectrum ( Figure 3 ) of the sample were using Bruker UFS 66V model interferometer using Nd:YAG laser source.…”

Section: Methods Of Calculation and Experimentalmentioning

confidence: 99%

“…Mary et al. reported a number of imidazole derivative's spectroscopic studies [ 17 , 18 , 19 , 20 , 21 , 22 , 23 ]. In literature, broad research has been reported on graphene activity [ 24 , 25 , 26 , 27 , 28 , 29 ].…”

Section: Introductionmentioning

confidence: 99%

Conformational analysis and quantum descriptors of two new imidazole derivatives by experimental, DFT, AIM, molecular docking studies and adsorption activity on graphene

Kumar

Mary

Pradhan³

et al. 2020

Heliyon

Self Cite

View full text Add to dashboard Cite

1-[2-(2-hydroxy-3-methoxy-5-(4-methoxyphenylazo)benzaldeneamino)ethyl]-3-methyl-3H-imidazole (HMY) and 1-[2-(2-hydroxy-3-methoxy-5-(4-methylphenylazo)benzaldene amino)ethyl]-3-methyl-3H-imidazole (HMM) were synthesized and characterized using spectral analysis. Conformational analysis has been achieved using potential energy scan for different rotable bonds for obtaining the lowest energy conformer. Conformer with minimum energy is obtained along the dihedral angle N30-C31-C34-N37. QTAIM analysis gives nature and strength of hydrogen bonding interactions. UV-Vis, electrostatic potential and chemical descriptors are analyzed. Interaction of HMY and HMM with graphene is analyzed in terms of SERS activity. Chemical reactivity descriptors were investigated for graphene-drug systems. NLO activity of parent drugs and its graphene complexes show good activity. The wavenumber downshift of different modes is noted. Title molecules exhibit inhibitory activity against cytochrome C peroxidase. Interactions with graphene sheets are theoretically predicted for the title compounds.

show abstract

“…In fact, heterocyclic chemistry has grown considerably and more than 90% of new drugs contain heterocycles [11]. More particularly, imidazole-based heterocyclic compounds occupy a prominent place in heterocyclic chemistry [12, 13]. Members of this family of compounds have diverse biological, pharmacological, environmental and industrial applications [14].…”

Section: Introductionmentioning

confidence: 99%

Identification of novel antifungal agents: antimicrobial evaluation, SAR, ADME–Tox and molecular docking studies of a series of imidazole derivatives

et al. 2019

View full text Add to dashboard Cite

Thirty-four imidazole-based compounds synthesized by one-pot catalytic method were evaluated for their antifungal and antibacterial activities against several fungal and bacterial strains. None of the compounds had antibacterial activity. Interestingly, compounds 1 , 2 , 3 , 10 and 15 displayed a strong antifungal activity against all the tested fungal species, while compounds 5 , 7 , 9 , 11 , 21 and 27 showed a moderate antifungal activity. To better understand the biological activity of the most active compounds ADME–Tox and molecular docking studies were carried out. Interestingly, compounds 1 , 2 , 3 , 7 , 10 and 15 showed excellent bioavailability. In addition, compounds 1 , 2 and 3 , exhibited good toxicity profiles. Docking studies of the two most active compounds 2 (IC 50 of 95 ± 7.07 μM) and 10 (IC 50 of 235 ± 7.07 μM) suggested that they might act by inhibiting the fungal lanosterol 14α-demethylase. Therefore, these novel antifungal agents merit further characterization for the development of new antifungal therapeutics. Electronic supplementary material The online version of this article (10.1186/s13065-019-0623-6) contains supplementary material, which is available to authorized users.

show abstract

Two novel imidazole derivatives – Combined experimental and computational study

Cited by 11 publications

References 77 publications

A Review on Heterocyclic: Synthesis and Their Application in Medicinal Chemistry of Imidazole Moiety

A Review on Heterocyclic: Synthesis and Their Application in Medicinal Chemistry of Imidazole Moiety

Conformational analysis and quantum descriptors of two new imidazole derivatives by experimental, DFT, AIM, molecular docking studies and adsorption activity on graphene

Identification of novel antifungal agents: antimicrobial evaluation, SAR, ADME–Tox and molecular docking studies of a series of imidazole derivatives

Contact Info

Product

Resources

About