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Churchill Livingstone, annual subscription £90, 6 issues a year

ISSN 1368 7646

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Drug resistance of different cell types is an increasing medical problem, at least with regard to infectious diseases and oncology.

Drug Resistance Updates is a new review journal on the subject of …

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Drug Resistance Updates

The nsp3 macrodomain is implicated in the viral replication, pathogenesis and host immune responses through the removal of ADP-ribosylation sites during infections of coronaviruses including the SARS-CoV-2. It has ever been modulated by macromolecules including the ADP-ribose until Ni and co-workers recently reported its inhibition and plasticity enhancement unprecedentedly by remdesivir metabolite, GS-441524, creating an opportunity for investigating other biodiverse small molecules such as β-Carboline (βC) alkaloids. In this study, 1497 βC analogues from the HiT2LEAD chemical database were screened, using computational approaches of Glide XP docking, molecular dynamics simulation and pk-CSM ADMET predictions. Selectively, βC ligands, 129, 584, 1303 and 1323 demonstrated higher binding affinities to the receptor, indicated by XP docking scores of -10.72, -10.01, -9.63 and -9.48 kcal/mol respectively than remdesivir and GS-441524 with -4.68 and -9.41 kcal/mol respectively. Consistently, their binding free energies were -36.07, -23.77, -24.07 and -17.76 kcal/mol respectively, while remdesivir and GS-441524 showed -21.22 and -24.20 kcal/mol respectively. Interestingly, the selected βC ligands displayed better stability and flexibility for enhancing the plasticity of the receptor than GS-441524, especially 129 and 1303. Their predicted ADMET parameters favour druggability and low expressions for toxicity. Thus, they are recommended as promising adjuvant/standalone anti-SARS-CoV-2 candidates for further study.Key words: SARS-CoV-2, nsp3 macrodomain, ADP-ribose, β-carboline, bioinformatics, drug design.

β-Carboline alkaloids induce structural plasticity and inhibition of SARS-CoV-2 nsp3 macrodomain more potently than remdesivir metabolite GS-441524: Computational approach

Co(II), Ni(II), Cu(II), Zn(II) and Pd(II) complexes of the Schiff base, 4-[(2,3-dihydro-1Hinden-4-ylimino)methyl]benzene-2,4-diol are synthesized and characterized by microanalysis, conductance, 1

Synthesis, Characterization, In-vitro Anticancer and Antimicrobial Properties of Some Metal(II) Complexes of 4-((2,3-dihydro-1H-inden-4- ylimino)methyl) benzene-2,4-diol

This review summarizes the current knowledge about the syntheses and biological behavior of some pyrazolo[5,4-b]pyridines. So, an expedient method for the synthesis of 2-phenyl-5-aryl-1,6-dihydropyrazolo[3,4- b]pyridin-3-ones and 2-phenyl-3-oxo-1,6-dihydropyrazolo[3,4-b]pyridine-5-carbaldehyde in a single-step via condensation of vinamidinium salts with 3-amino-1-phenyl-2-pyrazolin-5-one is described according to our recent study with synthesis strategy amelioration. Five derivatives (PYR1-5) were prepared and characterized by spectral data (NMR and MS spectral studies). All the derivatives were studied for their antimicrobial activities. So, we screened for antibacterial effects at 1:2, and 1:4 dilutions by the paper disc diffusion method against respectively Bacteria (Escherichia coli CIP 53126 and Bacillus subtilis CIP 5262) and Fungi (Candida albicans ATCC 10231). Then, we screened for Fungi (Aspergillus niger ATCC 16404) by the dilution method (agar and liquid broth). The agar diffusion method (paper disc and well) and the dilution method (agar and liquid broth) are described.

https://www.longdom.org/open-access/substituted-pyrazolo34bpyridin3ones-and-pyrazolo34bpyridine5carbaldehyde-new-onepot-synthesis-strategy-amelioration-usingvinamidin-2155-9597-1000310.pdf

Substituted Pyrazolo[3,4-B]Pyridin-3-Ones and Pyrazolo[3,4-B]Pyridine-5-Carbaldehyde, New One-Pot Synthesis Strategy Amelioration Using Vinamidinium Salts, Antibacterial and Antifungal Activities Promising Environmental Protection.

Novel thiazolidinedione-5-acetic-acid-peptide hybrid derivatives as potent antidiabetic and cardioprotective agents

Metal complexes of β-carboline: Advances in anticancer therapeutics

Metalloenzyme mimicry and modulation strategies to conquer antimicrobial resistance: Metal-ligand coordination perspectives

A B ST R A C T Coordination compounds derived from N-phthaloylglycine and N-phthaloyltyrosine were synthesized. The ligands were formed by 1:2 molar condensation of phthalic anhydride with tyrosine and glycine respectively. The complexes were formulated as [Zn(PHG) 2 (H 2O) 2] (OAc) 2[1], [Ni(PHG) 2 (H 2O) 2] (OAc) 2 [2] and [Cu(PHT) 2 ] (OAc) 2 [3] characterized by melting point, conductivity, AAS , IR, Uv-Visible spectroscopies. Both ligands were found to be bidentate. For complexes [1] and [2] the metal ions coordinate through both oxygen of OH and C=O in the carboxylic group to give octahedral geometry whereas in the [3] the coordination of metal ion occurs through both oxygen of phenoxyl and carbonyl group resulting in tetrahedral geometry. The antimicrobial studies using four test organisms( P.aerugenosa, E.Coli, S. aureus and C. albicans ) revealed that the metal complexes exhibit higher activity than their respective ligands.

Coordination compounds of n-phthaloylglycine and n-phthaloyltyrosine and their antimicrobial activities

Four complexes of Mn(II), Co(II), Ni(II) and Cu(II) with Schiff base ligand (H3L) derived from 2-amino-3-methylbutanoic acid and acetylacetonate were synthesized. All complexes were characterized by elemental analysis, Fourier-transform infrared spectroscopy and electronic spectroscopy. The results confirmed the coordination of the ligand to metals in tridentate fashion via the hydroxyl oxygen, the azomethine nitrogen and the enolic acetylacetonate oxygen. Antimicrobial activities were established for all complexes, free ligand and ciprofloxacin for comparison. Both the ligand and its metal complexes were active against Gram-positive and negative bacterial strains. The Cu(II) complex, showed highest antibacterial activity among the complexes screened. Other complexes displayed considerable antibacterial activity. Octahedral geometry was proposed for the metal(II) complexes with the Schiff base.
                   
KEY WORDS: Schiff base, Amino acid, Metal Complexes, Antibacterial agents
 
Bull. Chem. Soc. Ethiop. 2021, 35(1), 97-106.
DOI: https://dx.doi.org/10.4314/bcse.v35i1.8

/pdf/mn-ii-co-ii-ni-ii-and-cu-ii-complexes-of-amino-acid-derived-2t2t7e6gc6.pdf

Mn(II), Co(II), Ni(II), and Cu(II) complexes of amino acid derived Schiff base ligand: Synthesis, characterization and in-vitro antibacterial investigations

The synthesis and characterization of novel transition Metal (Cu(II), Co(II), Ni(II) and Zn (II)) complexes of  2,5-diamino-2-(difluoromethyl) pentanoic acid hydrochloride hydrate (DPH) have been described. The ligand and metal complexes were characterized by Melting point, Conductivity measurement, Elemental analysis, Fourier Transform infrared (FTIR) spectroscopy, Electronic spectroscopy, Magnetic susceptibility measurement and Electrospray Ionization Mass Spectrometry (ESI-MS). The FTIR spectral data suggests that the ligand behaves as a bidentate ligand coordinates to the metal ions through an oxygen atom of the carboxylate and a nitrogen atom of amino group. The terminal amino group of the ligand is protonated to form NH 3 + while the carboxylic moiety is deprotonated forming zwitterionic complexes. Electronic spectral and magnetic studies data suggest that the complexes of Cu(II), Co(II) and Ni(II) have octahedral geometry around metal ions while tetrahedral geometry was proposed Zn (II) ion. In vitro anti-bacterial activities of the ligand and metal complexes were carried out using agar diffusion method against two gram-positive bacteria (Staphylococcus aureus, Bacillus substilis) and two gram-negative bacteria (Escherichia coli, Klebsiella pneumonia). The results obtained revealed that the metal complexes showed enhanced antibacterial activities against the four micro-organisms with lowest minimum inhibitory concentration (MIC) when compared to parent compound. DOI: http://dx.doi.org/10.17807/orbital.v10i5.962

Synthesis, Characterization and in vitro Antibacterial Studies of Novel Transition Metal (II) Complexes of 2,5-Diamino-2-(difluoromethyl)pentanoic Acid Hydrochloride Hydrate

W. A. Osunniran

Papers

Metal complexes of β-carboline: Advances in anticancer therapeutics

Metalloenzyme mimicry and modulation strategies to conquer antimicrobial resistance: Metal-ligand coordination perspectives

Coordination compounds of n-phthaloylglycine and n-phthaloyltyrosine and their antimicrobial activities

Mn(II), Co(II), Ni(II), and Cu(II) complexes of amino acid derived Schiff base ligand: Synthesis, characterization and in-vitro antibacterial investigations

Synthesis, Characterization and in vitro Antibacterial Studies of Novel Transition Metal (II) Complexes of 2,5-Diamino-2-(difluoromethyl)pentanoic Acid Hydrochloride Hydrate