Synthesis, spectroscopic characterization, biological screenings, DNA binding study and POM analyses of transition metal carboxylates

Uddin, Noor; Sirajuddin, Muhammad; Uddin, Nizam; Tariq, Muhammad; Ullah, Hameed; Ali, Saqib; Tirmizi, Syed Ahmed; Khan, Abdur Rehman

doi:10.1016/j.saa.2014.12.062

Cited by 34 publications

(25 citation statements)

References 33 publications

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“…There are more than 80% of the drugs on the market having an (estimated) S value greater than À4. [47][48][49] In our case the S values for studied compounds are in the range of À1.08 and À3.13. Further, Table 7 shows drug likeness of the compounds which are almost in the comparable zone with that of standard drug used for comparison.…”

Section: Osiris Calculationsmentioning

confidence: 62%

“…Lipophilicity (cLog P value) and polar surface area (TPSA) values are two important properties for the prediction of per oral bioavailability of drug molecules. [47][48][49] Therefore cLog P and TPSA values for compounds were calculated using molinspiration software programs and compared with the values obtained for standard drugs imipenem (for antibacterial activity). The calculated cLog P values for the investigated compounds are in the range of À0.13 to 0.31 which are in the acceptable range.…”

Section: Molinspiration Calculationsmentioning

confidence: 99%

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Synthesis, spectral characterization and in vitro antibacterial evaluation and Petra/Osiris/Molinspiration analyses of new Palladium(II) iodide complexes with thioamides

Nadeem

Sirajuddin

Ahmad

et al. 2016

Alexandria Journal of Medicine

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Section: Osiris Calculationsmentioning

confidence: 62%

Section: Molinspiration Calculationsmentioning

confidence: 99%

Synthesis, spectral characterization and in vitro antibacterial evaluation and Petra/Osiris/Molinspiration analyses of new Palladium(II) iodide complexes with thioamides

Nadeem

Sirajuddin

Ahmad

et al. 2016

Alexandria Journal of Medicine

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“…This is further supported by the appearance of ν(Ni-O) broad absorption [22,34] that the value of ∆ν above 250 cm -1 signify the monodentate coordination, a value in the range of 120-250 cm -1 signify the bridging mode while a difference below 120 cm -1 correspond to a chelate nature. In the present compounds the values of ∆ν for the products lie in the range of 149-168 cm -1 .…”

Section: Resultsmentioning

confidence: 85%

“…1). It is reported in the literature [3,22,27,28] that the vibrational band due to the free >C=O group of carboxylic moiety appears in the region of 1725-1700 cm -1 and in metal carboxylate ν(COO -) asymmetric and symmetric stretching vibrations appeared in the region of 1610-1520 and 1460-1300 cm -1 . Also ν(M-O) vibrational bands appeared in the region of 400-600 cm -1 have been reported [23,[29][30][31][32][33] in the literature.…”

Section: Resultsmentioning

confidence: 99%

Synthesis and Characterization of Unique Nickel(II) Carboxylates and Their Coordination Complexes

Shavina¹,

Singh²

2018

Asian J. Chem.

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INTRODUCTIONElectrochemical technique in inorganic synthesis is highly selective in terms of potential, current density, electrode material and electrolyte composition for controlling the reaction rate. Electro synthesis is not only the oldest but also the simplest method for the synthesis of coordination compounds starting from the zero-valent metal. Electrochemical methods employ simple machinery and pure starting materials. The fact that the metal is employed rather than one of its salts avoids the occurrence of competitive reactions between the anion salts and the ligand to coordinate to the metal ion. Moreover, this approach allows the selective transformation of specific groups in a ligand or in a complex under very mild conditions. In the last several decades, contributions of electrochemical technique are of interest not only to inorganic [1][2][3][4][5][6][7] Direct anodic dissolution of nickel metal and cathodic reduction of carboxylic acids (RCOOH) in acetonitrile has proved to be a simple and efficient one-step route to synthesize unique polymeric nickel(II) carboxylate complexes, {Ni(OOCR)2}n in H-type glass Pyrex cell. When the oxidation was carried out in the presence of neutral ligands (L) such as 2,2'-bipyridyl or 1,10-phenanthroline, the complexes of type {Ni(OOCR)2.L}n were obtained. Tetrabutylammonium chloride has been used as a supporting electrolyte in order to increase the electrolytic conductivity of the electrochemical system which in turn affects the current efficiency, cell voltage and energy consumption in the electrolytic cell. The complexes have been characterized by vibrational spectra, CHN elemental analysis, solubility and melting points shows a good agreement with the structure. The result also shows that the direct electrochemical synthetic technique has high current efficiency, extra purity and yield.

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“…There is a ranking to be followed, where there is the inference that active substances are those that score >0, moderately active substances score in the range of −5.0 to 0 and inactive compounds score <-5 .0 [47, 48] . Through table 5, it was possible to predict that the riparin B molecule presents as a moderately active substance.…”

Section: Discussion / Conclusionmentioning

confidence: 99%

In-silico studies of Riparin B in the design of drugs: Physicochemical, pharmacokinetic and pharmacodynamic parameters

Rodrigues¹,

Oliveira²,

Costa

et al. 2020

Preprint

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27The process involved in the research, discovery and development of drugs is 28 characterized by high extensive and complex cost linked to scientific and 29 technological innovations, and it is necessary to study and verify the progress of 30 research carried out in the field that results in patent applications. Aniba riparia 31 (Nees) Mez is a plant species often used for therapeutic purposes, where its 32 pharmacological properties are associated to the presence of alkaloids called 33 riparins. 5 synthetic analog compounds (riparins A, B, C, D, E and F) were 34 developed from natural riparins. These molecules, natural and synthetic, showed 35 several pharmacological activities in tests performed in vitro and in vivo, 36 highlighting the Central Nervous System (CNS). The objective of this work was 37 to evaluate the physical-chemical, pharmacokinetic parameters (absorption, 38 distribution, metabolism, excretion and toxicity) and pharmacodynamic 39 parameters (bioactivity and adverse reactions) of Riparin B by means of in silico 40 computational prediction. Online software such as Pre-ADMET, SwissADME, 41 Molinspiration and PASS on line were used for the analysis. Riparin B fits the 42 characteristics of druglikeness, pharmacokinetic properties appropriate to the 43 predicted patterns and activities within the scope for the treatment of AD, 44 demonstrating a possible potential in the inhibition of AChE. Therefore, in silico 45 results allow us to conclude that riparin B is predicted to be a potential future drug 46 candidate, especially via oral administration, due to its relevant Drug-likeness 47 profile, bioavailability, excellent liposolubility and adequate pharmacokinetics,48including at the level of CNS, penetrating the blood-brain barrier. 49 50 73the natural molecules of this species, there are synthetic analogues known as 74 riparins A, B, C, D and F, which share structures similar to natural molecules [5] . 75 4 Synthetic riparin analogues have already demonstrated antioxidant, 76including analysis of isolated mitochondria of the brain of mice [6,7] , antimicrobial [8] , 77 antiparasitic [9] , as well as leishmanicide [10] , vasodilator [7] and anti-inflammatory [11] 78 activities. Among the properties of synthetic riparins, their action in the Central 79Nervous System (CNS), such anxiolytic effects [12] in anxiety models, without 80 affecting the locomotion of the animals used in the experiment [7] , which make 81 them target molecules of new studies aimed at obtaining therapeutic alternatives, 82 and can be used in the treatment of AD. 83However, there is a significant problem that still remains in the drug 84 discovery procedure, particularly in the later stages of conducting research: the 85 analysis of the properties of ADME (absorption, distribution, metabolism and 86 excretion) and the evident toxicity of drug candidates. Over 50% of drug 87 candidates fail due to poor analysis of ADME/Tox during a drug design [2] . 88 To evaluate the physicochemical, pharmacokinetic (absorption,...

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Synthesis, spectroscopic characterization, biological screenings, DNA binding study and POM analyses of transition metal carboxylates

Cited by 34 publications

References 33 publications

Synthesis, spectral characterization and in vitro antibacterial evaluation and Petra/Osiris/Molinspiration analyses of new Palladium(II) iodide complexes with thioamides

Synthesis, spectral characterization and in vitro antibacterial evaluation and Petra/Osiris/Molinspiration analyses of new Palladium(II) iodide complexes with thioamides

Synthesis and Characterization of Unique Nickel(II) Carboxylates and Their Coordination Complexes

In-silico studies of Riparin B in the design of drugs: Physicochemical, pharmacokinetic and pharmacodynamic parameters

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