scholarly journals Design, Synthesis, Drug-Likeness And In Silico Prediction of Polycyclic Aromatic Schiff Base Tethered Organosilatranes

2021 ◽  
Author(s):  
Gurjaspreet Singh ◽  
Shilpy Jindal ◽  
Akshpreet Singh ◽  
Surjeet Singh ◽  
Sushma ◽  
...  
Keyword(s):  
Schiff Base ◽  
In Silico ◽  
Condensation Reaction ◽  
Spectroscopic Techniques ◽  
Mass Analysis ◽  
Design Synthesis ◽  
Physiochemical Properties ◽  
Biological Potential ◽  
Polycyclic Aromatic ◽  
Ft Ir

Abstract The present article includes the generation of aromatic Schiff base tethered organosilatranes via two step synthetic pathways starting from anthracene-10-carbaldehyde and 1H-indole-3-carbaldehyde. The synthesis was achieved by employing condensation reaction followed by transesterification methodology. The prepared organosilatranes containing aromatic schiff based ligands were structurally authenticated using spectroscopic techniques such as FT-IR, NMR and mass analysis. The prepared compounds were also scrutinized for in silico physiochemical properties via Molininspiration and ADMET software and the results revealed their good biological potential for drug discovery.

Chalcones: As potent α-amylase enzyme inhibitors; synthesis, in vitro, and in silico studies

2020 ◽  
Vol 16 ◽  
Author(s):  
Mahboob Ali ◽  
Momin Khan ◽  
Khair Zaman ◽  
Abdul Wadood ◽  
Maryam Iqbal ◽  
...  
Keyword(s):  
In Silico ◽  
Enzyme Inhibitors ◽  
Biological Activities ◽  
Condensation Reaction ◽  
Type Ii Diabetes Mellitus ◽  
Spectroscopic Techniques ◽  
Chalcone Derivatives ◽  
In Silico Studies ◽  
Wide Range

: Background: The inhibition of α-amylase enzyme is one of the best therapeutic approach for the management of type II diabetes mellitus. Chalcone possesses a wide range of biological activities. Objective: In the current study chalcone derivatives (1-17) were synthesized and evaluated their inhibitory potential against α-amylase enzyme. Method: For that purpose, a library of substituted (E)-1-(naphthalene-2-yl)-3-phenylprop-2-en-1-ones was synthesized by ClaisenSchmidt condensation reaction of 2-acetonaphthanone and substituted aryl benzaldehyde in the presence of base and characterized via different spectroscopic techniques such as EI-MS, HREI-MS, 1H-, and 13C-NMR. Results: Sixteen synthetic chalcones were evaluated for in vitro porcine pancreatic α-amylase inhibition. All the chalcones demonstrated good inhibitory activities in the range of IC50 = 1.25 ± 1.05 to 2.40 ± 0.09 μM as compared to the standard commercial drug acarbose (IC50 = 1.34 ± 0.3 μM). Conclusion: Chalcone derivatives (1-17) were synthesized, characterized, and evaluated for their α-amylase inhibition. SAR revealed that electron donating groups in the phenyl ring have more influence on enzyme inhibition. However, to insight the participation of different substituents in the chalcones on the binding interactions with the α-amylase enzyme, in silico (computer simulation) molecular modeling analyses were carried out.

Synthesis,Characterization and Evaluation of Biological Activity of Sulfonylhydrazide-Schiff Base" (E)- N’-(2,5-dimethoxybenzalidene) naphthalene-2-sulfonohydrazide"

2020 ◽  
Vol 8 (1) ◽  
pp. 01-11
Author(s):  
Sameer Amereih ◽  
Abd Daraghmeh ◽  
Ismail Warad ◽  
Mohammed Al-Nuri
Keyword(s):  
Schiff Base ◽  
Inhibitory Concentration ◽  
Condensation Reaction ◽  
Gram Negative Bacteria ◽  
Biological Applications ◽  
Bacteriostatic Effect ◽  
1H And 13C Nmr ◽  
13C Nmr Analysis ◽  
Ft Ir

Condensation reaction of naphthalene -2-Sulfonylhydrazide, as starting material with 2,5-dimethoxy benzaldehyde was used to produce (E)-N’-(2,5-dimethoxybenzalidene)naphthalene-2-sulfonohydrazide. The Schiff base product was isolated, purified and then spectrally characterized via UV-Vis, GC/MS, FT-IR, 1H and 13C NMR analysis, where strong evidences confirmed the formation of the desired product. Antimicrobial activity of Schiff base product was evaluated in vitro against several types of bacteria such as: Escherichia coli, Staphylococcus aureus, Pseudomonas aeruginosa, Klebsiella pneumoniae and MRSA by Minimum Inhibitory Concentration (MIC) test using tetracycline (TE) as a standard antibiotic. The tests showed a promising bacteriostatic effect of this compound against gram negative bacteria such as P. aeruginosa and K. pneumoniae, such character is valuable for biological applications.

scholarly journals Synthesis, Characterization and Biological Activity Study of New Compounds Tetrazole Derivatives Azo-Schiff Base

2019 ◽  
Vol 25 (103) ◽  
pp. 68-89
Author(s):  
Hiba Ibrahim Abdulla AL-Joubory ◽  
Khalid Mohamad Motny Al-janaby
Keyword(s):  
Biological Activity ◽  
Schiff Base ◽  
Pathogenic Bacteria ◽  
Diazonium Salt ◽  
Aldehyde Group ◽  
Spectroscopic Techniques ◽  
Phenyl Hydrazine ◽  
Ft Ir ◽  
New Compounds ◽  
Tetrazole Derivatives

This work included synthesis of azo dye (H1) by the reaction of diazonium salt to sulfacetamide with 4-hydroxy benzaldehyde at (0-5) oC  and synthesis of schiff base (H2-H6) through reaction substituted aromatic amine (aniline, 4-nitro aniline, 4-chloro aniline, 4-amino benzoic acid and phenyl hydrazine)  with aldehyde group in azo compound (H1) in ethanol compounds (H2-H6) and tetrazole derivatives prepared by reaction schiff base with sodium azide in ethanol compounds (H7-H11) and characterization by using spectroscopic techniques Uv/Vis, FT-IR, C.H.N. and H1-NMR of some the prepared compounds using DMSO-d6 a solvent, in addition melting point and determination a purity of TLC, and this work consists a study of biological activity for the some prepared compounds against four types of pathogenic bacteria and know to be resistant to anti biotic.

Synthesis, Characterization and X-Ray Crystal Structure of the New Schiff Base and Anticandidal Evaluation

2019 ◽  
Vol 41 (6) ◽  
pp. 1090-1090
Author(s):  
Mehmet Poyraz Mehmet Poyraz ◽  
Musa Sari Musa Sari ◽  
Halil Berber Halil Berber ◽  
Nursenem Karaca and Fatih Demirci Nursenem Karaca and Fatih Demirci
Keyword(s):  
Schiff Base ◽  
Spectroscopic Techniques ◽  
X Ray Diffraction ◽  
X Ray ◽  
Microdilution Method ◽  
Broth Microdilution Method ◽  
Ft Ir ◽  
Anticandidal Activity ◽  
Crystal Structural

A new Schiff base, namely 2-methoxy-6-((2-(4 nitrophenyl) hydrazineylidene) methyl)phenol was synthesized and characterized by melting points, elemental analysis, thermogravimetric analysis and spectroscopic techniques (FT-IR, 1H-NMR and UV-VIS spectra). The chemical structure of compound was further confirmed by single crystal structural X-ray diffraction. The Schiff base is crystallized in the triclinic space group P-1. In the crystal, molecules are linked by O-H…O hydrogen bonds between the hydroxy “-O-” atom and the methoxy “-O-” atom. Furthermore, the synthesized Schiff base was tested for the in vitro anticandidal activities using CLSI broth microdilution method against human pathogenic Candida albicans, C. parapsilosis and C. krusei standard strains. In the anticandidal activity test results, the new Schiff base was found to be effective at 1 mg/mL - 0.25 mg/mL concentrations. (The last line omitted) (The sentence marked in red will be deleted)

scholarly journals Antimicrobial and Antioxidant Activities of Diorganotin(IV) Complexes Synthesized from 1,2,4-Triazole Derivatives

2020 ◽  
Vol 32 (10) ◽  
pp. 2553-2558
Author(s):  
Jyoti Yadav ◽  
Jai Devi
Keyword(s):  
Schiff Base ◽  
Antioxidant Activities ◽  
Azomethine Nitrogen ◽  
Spectroscopic Techniques ◽  
Schiff Base Ligands ◽  
Alkyl Aryl ◽  
Aryl Group ◽  
Ft Ir ◽  
Tin Metal

Novel diorganotin(IV) complexes were synthesized from 1,2,4-triazole Schiff base ligands which were synthesized by reaction between the 4-amino-5-phenyl-1,2,4-triazole-3-thiol and salicyaldehyde derivatives. The bonding and geometry of the diorganotin(IV) complexes were evaluated by using different spectroscopic techniques such as FT-IR, mass, 1H, 13C & 119Sn NMR. The different spectroscopic techniques revealed the tridentate (ONS) mode of chelation of Schiff base ligands and pentacoordinated environment around the central tin metal which was satisfied with azomethine nitrogen, phenolic oxygen, thiolic sulfur and metal-carbon bond of alkyl/aryl group. The Schiff base ligands and their organotin(IV) complexes were tested for their in vitro antimicrobial and antioxidant activities to examine the biological outline of complexes in comparison to standard drugs. The results of activities data revealed that diorganotin(IV) complexes are more active than Schiff base ligands and some diorganotin(IV) complexes are even more active than the standard drugs. In all the synthesized complexes, compound 9 (Bu2SnL2) and 10 (Ph2SnL2) were most potent and can be used in future clinical trials.

scholarly journals Synthesis, Antimicrobial Screening, Homology Modeling, and Molecular Docking Studies of a New Series of Schiff Base Derivatives as Prospective Fungal Inhibitor Candidates

Molecules ◽  
2019 ◽  
Vol 24 (18) ◽  
pp. 3250 ◽  
Author(s):  
Yahya Toubi ◽  
Farid Abrigach ◽  
Smaail Radi ◽  
Faiza Souna ◽  
Abdelkader Hakkou ◽  
...  
Keyword(s):  
Schiff Base ◽  
Homology Modeling ◽  
Condensation Reaction ◽  
Docking Studies ◽  
Antifungal Effect ◽  
1H And 13C Nmr ◽  
Schiff Base Derivatives ◽  
Ft Ir ◽  
Antibacterial And Antifungal

Twelve new Schiff base derivatives have been prepared by the condensation reaction of different amino substituted compounds (aniline, pyridin-2-amine, o-toluidine, 2-nitrobenzenamine, 4-aminophenol, and 3-aminopropanol) and substituted aldehydes such as nicotinaldehyde, o,m,p-nitrobenzaldehyde, and picolinaldehyde in ethanol using acetic acid as a catalyst. The envisaged structures of the all the synthesized ligands have been confirmed on the basis of their spectral analysis FT-IR, mass spectroscopy, 1H- and 13C-NMR. In vitro screening of their antibacterial and antifungal potential against Escherichia coli bacterium and Fusarium oxysporum f.sp albedinis (F.o.a) fungus, respectively, revealed that all the ligands showed no significant antibacterial activity, whereas most of them displayed good antifungal activity. Homology modeling and docking analysis were performed to explain the antifungal effect of the most and least active compound against two F.o.a fungus proteins.

scholarly journals Efficient Synthesis and Characterization of Some Novel Nitro-Schiff Bases and Their Complexes of Nickel(II) and Copper(II)

2013 ◽  
Vol 2013 ◽  
pp. 1-8 ◽  
Author(s):  
Hossein Naeimi ◽  
Mohsen Moradian
Keyword(s):  
Schiff Base ◽  
Schiff Base Complexes ◽  
Synthesis And Characterization ◽  
Planar Geometry ◽  
Hydroxyl Groups ◽  
Spectroscopic Techniques ◽  
Spectral Techniques ◽  
Chemical Structures ◽  
Ft Ir

Synthesis and characterization of some new Schiff base ligands derived from various diamines and nitrosalicylaldehyde and their complexes of Ni(II) and Cu(II) are reported. Several spectral techniques such as UV-Vis, FT-IR, and NMR spectra were used to identify the chemical structures of the reported ligands and their complexes. The ligands are found to be bound to the metal atom through the oxygen atoms of the hydroxyl groups and nitrogen atoms of imine groups, which is also supported by spectroscopic techniques. The results obtained by FT-IR and NMR showed that the Schiff base complexes of transition metal (II) have square-planar geometry.

scholarly journals Synthesis and Characterization of New Amino Acid-Schiff Bases and Studies their Effects on the Activity of ACP, PAP and NPA Enzymes (In Vitro)

2012 ◽  
Vol 9 (2) ◽  
pp. 962-969 ◽  
Author(s):  
Zahraa Salim M. Al-Garawi ◽  
Ivan Hameed R. Tomi ◽  
Ali Hussein R. Al-Daraji
Keyword(s):  
Schiff Base ◽  
Condensation Reaction ◽  
Synthesis And Characterization ◽  
Activation Effect ◽  
Inhibition Effect ◽  
H Nmr ◽  
Ft Ir ◽  
High Concentrations

In this study, two new Schiff base compounds derived from the condensation reaction ofL-glycine andL-tryptophan with 4-methylbenzal-dehyde have been synthesized. The Schiff base compounds were characterized by FT-IR, UV and1H NMR spectroscopy. Their effects on the activity of total (ACP), prostatic (PAP) and non prostatic (NPA) acid phosphatase enzymes were studied. The Schiff base derived fromL-glycine (A) demonstrated inhibition effect on the ACP and NPA activities and activation effect on PAP activity. The Schiff base derived fromL-tryptophan (B) demonstrated semi fixed inhibition effects on the ACP and NPA activities at high concentrations (5.5×10-2, 5.5×10-3and 5.5×10-4M) and activator effect at low concentration (5.5×10-5M) while it was exhibits as activator on PAP activity.

scholarly journals Synthesis, Characterization and Antibacterial Activity of Schiff Base, 4-Chloro-2-{(E)-[(4-Fluorophenyl)imino]methyl}phenol Metal (II) Complexes

2020 ◽  
Vol 2020 ◽  
pp. 1-8 ◽  
Author(s):  
F. K. Ommenya ◽  
E. A. Nyawade ◽  
D. M. Andala ◽  
J. Kinyua
Keyword(s):  
Antibacterial Activity ◽  
Schiff Base ◽  
Metal Complexes ◽  
Elemental Analysis ◽  
Schiff Base Ligand ◽  
Condensation Reaction ◽  
Molar Conductance ◽  
Diffusion Method ◽  
Elemental Analysis Data ◽  
Ft Ir

A new series of Mn (II), Co (II), Ni (II), Cu (II), and Zn (II) complexes of the Schiff base ligand, 4-chloro-2-{(E)-[(4-fluorophenyl)imino]methyl}phenol (C13H9ClFNO), was synthesized in a methanolic medium. The Schiff base was derived from the condensation reaction of 5-chlorosalicylaldehyde and 4-fluoroaniline at room temperature. Elemental analysis, FT-IR, UV-Vis, and NMR spectral data, molar conductance measurements, and melting points were used to characterize the Schiff base and the metal complexes. From the elemental analysis data, the metal complexes formed had the general formulae [M(L)2(H2O)2], where L = Schiff base ligand (C13H9ClFNO) and M = Mn, Co, Ni, Cu, and Zn. On the basis of FT-IR, electronic spectra, and NMR data, “O” and “N” donor atoms of the Schiff base ligand participated in coordination with the metal (II) ions, and thus, a six coordinated octahedral geometry for all these complexes was proposed. Molar conductance studies on the complexes indicated they were nonelectrolytic in nature. The Schiff base ligand and its metal (II) complexes were tested in vitro to evaluate their bactericidal activity against Gram-negative bacteria (Escherichia coli and Pseudomonas aeruginosa) and Gram-positive bacteria (Bacillus subtilis and Staphylococcus typhi) using the disc diffusion method. The antibacterial evaluation results revealed that the metal (II) complexes exhibited higher antibacterial activity than the free Schiff base ligand.

scholarly journals Design, Synthesis, In Vitro and In Silico Studies of New Thiazolylhydrazine-Piperazine Derivatives as Selective MAO-A Inhibitors

Molecules ◽  
2020 ◽  
Vol 25 (18) ◽  
pp. 4342
Author(s):  
Begüm Nurpelin Sağlık ◽  
Osman Cebeci ◽  
Ulviye Acar Çevik ◽  
Derya Osmaniye ◽  
Serkan Levent ◽  
...  
Keyword(s):  
Enzyme Inhibition ◽  
In Silico ◽  
Drug Targets ◽  
Binding Property ◽  
Spectroscopic Techniques ◽  
Design Synthesis ◽  
Piperazine Derivatives ◽  
In Silico Studies ◽  
Mao A

Monoamine oxidase (MAO) isoenzymes are very important drug targets among neurological disorders. Herein, novel series of thiazolylhydrazine-piperazine derivatives were designed, synthesized and evaluated for their MAO-A and -B inhibitory activity. The structures of the synthesized compounds were assigned using different spectroscopic techniques such as 1H-NMR, 13C-NMR and HRMS. Moreover, the prediction of ADME (Absorption, Distribution, Metabolism, Elimination) parameters for all of the compounds were performed using in silico method. According to the enzyme inhibition results, the synthesized compounds showed the selectivity against MAO-A enzyme inhibition. Compounds 3c, 3d and 3e displayed significant MAO-A inhibition potencies. Among them, compound 3e was found to be the most effective derivative with an IC50 value of 0.057 ± 0.002 µM. Moreover, it was seen that this compound has a more potent inhibition profile than the reference inhibitors moclobemide (IC50 = 6.061 ± 0.262 µM) and clorgiline (IC50 = 0.062 ± 0.002 µM). In addition, the enzyme kinetics were performed for compound 3e and it was determined that this compound had a competitive and reversible inhibition type. Molecular modeling studies aided in the understanding of the interaction modes between this compound and MAO-A. It was found that compound 3e had significant and important binding property.

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