“…The adequate energy of interaction in which molecule be t with DNA was counted as its docking energy. Studies of protein-ligand interaction and structural information by docking stimulation from complexes , respectively, which is comparative with reported palladium complexes [35]. representative graph of the ligand1(L 1 ) and complex-I is shown in Fig.…”
Section: Molecular Docking Studymentioning
confidence: 89%
“…Docking software hex 8.0 with PDB (1BNA) having sequence (5'-d(CGCGAATTCGCG)-3') 2 was used to nd out binding energy, binding modes and binding a nity between proteins/DNA and ligands. The docking structure of synthesized ligands (L 1 -L 6 ), Pd , respectively, which is comparative with reported palladium complexes [35].…”
A series of trisubstituted pyrazole-based ligands (L1-L6) and corresponding palladium(II) complexes were synthesized and characterized by conductivity measurement, 1H NMR, 13C NMR, Fourier Transform infrared (FT-IR) spectroscopy and liquid chromatography-mass spectrometry (LC-MS). Synthesized compounds were screened for various biological activities. UV-Vis spectroscopy, viscosity measurement, fluorescence spectroscopy and molecular docking studies were used to determine the binding mode between HS-DNA and complexes, which suggest intercalation mode of binding. The protein binding study of complexes was evaluated by UV-visible spectroscopy. Antibacterial study of the complexes was screened against two Gram (+ve) and three Gram (-ve) bacteria and results show that all complexes are more effective against microorganisms than their respective ligands. The cytotoxicity of the synthesized compounds was tested against brine shrimp and MCF-7 Cells. The LC50 values of the ligand and complexes were found in the range of 9.24-4.12 µg/mL and 5.68-7.94 µg/mL, respectively.
“…The adequate energy of interaction in which molecule be t with DNA was counted as its docking energy. Studies of protein-ligand interaction and structural information by docking stimulation from complexes , respectively, which is comparative with reported palladium complexes [35]. representative graph of the ligand1(L 1 ) and complex-I is shown in Fig.…”
Section: Molecular Docking Studymentioning
confidence: 89%
“…Docking software hex 8.0 with PDB (1BNA) having sequence (5'-d(CGCGAATTCGCG)-3') 2 was used to nd out binding energy, binding modes and binding a nity between proteins/DNA and ligands. The docking structure of synthesized ligands (L 1 -L 6 ), Pd , respectively, which is comparative with reported palladium complexes [35].…”
A series of trisubstituted pyrazole-based ligands (L1-L6) and corresponding palladium(II) complexes were synthesized and characterized by conductivity measurement, 1H NMR, 13C NMR, Fourier Transform infrared (FT-IR) spectroscopy and liquid chromatography-mass spectrometry (LC-MS). Synthesized compounds were screened for various biological activities. UV-Vis spectroscopy, viscosity measurement, fluorescence spectroscopy and molecular docking studies were used to determine the binding mode between HS-DNA and complexes, which suggest intercalation mode of binding. The protein binding study of complexes was evaluated by UV-visible spectroscopy. Antibacterial study of the complexes was screened against two Gram (+ve) and three Gram (-ve) bacteria and results show that all complexes are more effective against microorganisms than their respective ligands. The cytotoxicity of the synthesized compounds was tested against brine shrimp and MCF-7 Cells. The LC50 values of the ligand and complexes were found in the range of 9.24-4.12 µg/mL and 5.68-7.94 µg/mL, respectively.
“…A family of palladium(II) complexes with hispolon analogues have been recently synthesized and they showed higher in vitro cytotoxicity than the corresponding free ligands against different cancer cell lines. In particular, Pd-complexes with methoxy-substituted hispolon analogues ( Scheme 21 ) showed improved activity compared to the corresponding hydroxyl compounds [ 243 ].…”
Phenols are widespread in nature, being the major components of several plants and essential oils. Natural phenols’ anti-microbial, anti-bacterial, anti-oxidant, pharmacological and nutritional properties are, nowadays, well established. Hence, given their peculiar biological role, numerous studies are currently ongoing to overcome their limitations, as well as to enhance their activity. In this review, the functionalization of selected natural phenols is critically examined, mainly highlighting their improved bioactivity after the proper chemical transformations. In particular, functionalization of the most abundant naturally occurring monophenols, diphenols, lipidic phenols, phenolic acids, polyphenols and curcumin derivatives is explored.
“…Similarly, phenyl substitution enhances the activity while cyclohexyl decreases the activity. Similarly, by comparison of benzyl group and simple alkyl group, it has been observed that the benzyl group increases the activity more than a simple alkyl group ( Chethna et al, 2018b ; Weia et al, 2020 ). Fig.…”
Section: Introductionmentioning
confidence: 95%
“…2 , Fig. 3 ( Rossia et al, 2019 ; Weia et al, 2020 ). These groups have different influences on activity as calculated by DFT.…”
Nature as an infinite treasure of chemotypes and pharmacophores will continue to play an imperative role in the drug discovery. Natural products (NPs) such as plant and fungal metabolites have emerged as leads in drug discovery during recent years due to their efficacy, safety and selectivity. The current review summarizes natural sources as well as pharmacological potential of hispolon which is a major constituent of traditional medicinal mushroom
Phellinus linteus
. The study aims to update the scientific community about recent developments of hispolon in the arena of natural drugs by providing insights into its present status in therapeutic pursuits. Hispolon, a polyphenol has been reported to possess anticancer, antidiabetic, antioxidant, antiviral and anti-inflammatory activities. It fights against cancer
via
induction of apoptosis, halting cell cycle and inhibition of metastasis by targeting various cellular signaling pathways including PI3K/Akt, MAPK and NF-κB. The current review proposes that hispolon provides a novel opportunity for pharmacological applications and its styrylpyrone carbon skeleton might serve as an attractive scaffold for drug development. However, future researches are recommended to assess bioavailability, toxicological limits, pharmacokinetic and pharmacodynamic profiles of hispolon, in order to establish its potential as a potent multi-targeted drug in the near future.
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