Curcumin-I Knoevenagel’s condensates and their Schiff’s bases as anticancer agents: Synthesis, pharmacological and simulation studies

Ali, Imran; Haque, Ashanul; Saleem, Kishwar; Hsieh, Ming‐Fa

doi:10.1016/j.bmc.2013.04.018

Cited by 146 publications

(59 citation statements)

References 47 publications

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“…[31,52] Today, researchers from every field taking the support of docking to understand mode and strength of interaction at molecular level. [31,32,[53][54][55][56] In the present work, shape-based cholinium ion was docked with DNA duplex of sequence d(CGCGAATTCGCG)2 dodecamer (PDB ID: 1BNA) to predict the binding site and preferred orientation. The energetically most favorable conformation of the docked pose (Fig.…”

Section: Docking Studiesmentioning

confidence: 99%

“…The crystal structure of the B-DNA dodecamer d(CGCGAATTCGCG)2 (PDB ID: 1BNA) was downloaded from the protein data bank (http://www.rcsb.org./pdb). Parameter files for grid and docking were prepared using ADT following previously reported work [32]. Docking studies between double stranded DNA and cholinium were performed with the standard AutoDock (v4.2) suit using Lamarckian Genetic Algorithm [39,40].…”

Section: Cosmo-rs (Conductor-like Screening Model For Real Solvents) mentioning

confidence: 99%

“…DNA binding experiment was carried out following the protocol reported in the literature [31,32]. The stock solution of disodium salt of ct-DNA was prepared in tris-HCl buffer (pH 7.…”

Section: Dna Binding Studiesmentioning

confidence: 99%

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Interaction studies of cholinium-based ionic liquids with calf thymus DNA: Spectrophotometric and computational methods

Haque

Khan

Hassan

et al. 2017

Journal of Molecular Liquids

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Section: Docking Studiesmentioning

confidence: 99%

Section: Cosmo-rs (Conductor-like Screening Model For Real Solvents) mentioning

confidence: 99%

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Interaction studies of cholinium-based ionic liquids with calf thymus DNA: Spectrophotometric and computational methods

Haque

Khan

Hassan

et al. 2017

Journal of Molecular Liquids

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“…Molecular docking is an essential tool for the prediction of the interactions of drugs with various biological macromolecules at the supramolecular level [62]. B-DNA is the most common form of DNA with deep and wide major grooves and deep and narrow minor grooves.…”

Section: In Silico Studiesmentioning

confidence: 99%

Copper(II), nickel(II), and ruthenium(III) complexes of an oxopyrrolidine-based heterocyclic ligand as anticancer agents

Wani

ALOthman

Ali

et al. 2014

Journal of Coordination Chemistry

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An oxopyrrolidine-based ligand [3-(4-chlorobenzylidine)-5-(5-amino-1,3,4-thiadiazol-2-yl)pyrrolidin-2-one] was synthesized by coupling pyroglutamic acid with p-chlorobenzaldehyde followed by cyclization with thiosemicarbazide in presence of oxyphosphoryl chloride. Copper, nickel, and ruthenium complexes of the ligand were also synthesized. The electrolytic nature, with octahedral geometries for nickel and ruthenium complexes, was observed, while tetragonally distorted octahedral geometry for copper complex was proposed. The complexes were resistant to dissociation and degradation in 5% DMSO solutions of PBS (pH 7.4). DNA binding constants (K b ) for ligand, copper, nickel, and ruthenium complexes were 1.15 × 10 5 , 1.67 × 10 5 , 1.87 × 10 5 , and 1.007 × 10 6 M −1 , respectively, indicating quite strong binding with DNA. In silico studies also showed that the ligand interacted with DNA mainly through van der Waal's forces. The docking energy of ligand−DNA adduct was -30.45 kJ M -1 , suggesting a good affinity of the reported ligand with DNA. Both the ligand and its complexes were less toxic to RBCs as compared to doxorubicin. All the compounds showed moderate anticancer activities on MCF-7 (wild type) breast cancer cell lines.

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“…There are many factors which can cause cancer, but cancer is mostly caused by a mutation in normal cells . Glutamic acid derivatives, curcumin‐I Knoevenagel's condensates and their Schiff's bases and platinum compounds were reported to show anticancer potential . Different kinds of cancer which affect various organs are carcinoma, sarcoma, lymphoma or leukaemia.…”

Section: Introductionmentioning

confidence: 99%

Benzimidazole Scaffold as Anticancer Agent: Synthetic Approaches and Structure–Activity Relationship

Shrivastava

Naim

Alam

et al. 2017

Archiv der Pharmazie

126

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Cancer, also known as malignant neoplasm, is a dreadful disease which involves abnormal cell growth having the potential to invade or spread to other parts of the body. Benzimidazole is an organic compound that is heterocyclic and aromatic in nature. It is a bicyclic compound formed by the fusion of the benzene and imidazole ring systems. It is an important pharmacophore and a privileged structure in medicinal chemistry. According to the World Health Organisation (2015 survey), one in six deaths is due to cancer around the globe, accounting for 8.8 million deaths of which 70% of the cases were from low- and middle-income countries. In the efforts to develop suitable anticancer drugs, medicinal chemists have focussed on benzimidazole derivatives. This review article covers the current development of benzimidazole-based anticancer agents along with the synthetic approaches and structure-activity relationships (SAR).

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Curcumin-I Knoevenagel’s condensates and their Schiff’s bases as anticancer agents: Synthesis, pharmacological and simulation studies

Cited by 146 publications

References 47 publications

Interaction studies of cholinium-based ionic liquids with calf thymus DNA: Spectrophotometric and computational methods

Interaction studies of cholinium-based ionic liquids with calf thymus DNA: Spectrophotometric and computational methods

Copper(II), nickel(II), and ruthenium(III) complexes of an oxopyrrolidine-based heterocyclic ligand as anticancer agents

Benzimidazole Scaffold as Anticancer Agent: Synthetic Approaches and Structure–Activity Relationship

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