Anti-cancer property and DNA binding interaction of first row transition metal complexes: A decade update.

Metal ions carry out a wide variety of functions, including acid-base/redox catalysis, structural functions, signaling, and electron transport. Understanding the interactions of transition metal complexes with biomacromolecules is essential for biology, medicinal chemistry, and the production of synthetic metalloenzymes. After the coincidental discovery of cisplatin, importance of the metal complexes in biochemistry became a top priority for inquiry. In this review, a decade update on various synthetic strategies to first row transition metal complex and their interaction with DNA through non-covalent binding are explored. Moreover, this effort provides an excellent analysis on the efficacy of theoretical and practical approaches to the systematic generation of new non-platinum based metallodrugs for anti-cancer therapeutics.

In-silico molecular modelling, MM/GBSA binding free energy and molecular dynamics simulation study of novel pyrido fused imidazo[4,5-c]quinolines as potential anti-tumor agents.

With an alarming increase in the number of cancer patients and a variety of tumors, it is high time for intensive investigation on more efficient and potent anti-tumor agents. Though numerous agents have enriched the literature, still there exist challenges, with the availability of different targets and possible cross-reactivity. Herein we have chosen the phosphoinositide 3-kinase (PI3K) as the target of interest and investigated the potential of pyrido fused imidazo[4,5-c]quinoline derivatives to bind strongly to the active site, thereby inhibiting the progression of various types of tumors. The AutoDock, Glide and the Prime-MM/GBSA analysis are used to execute the molecular docking investigation and validation for the designed compounds. The anti-tumor property evaluations were carried out by using PASS algorithm. Based on the GLIDE score, the binding affinity of the designed molecules towards the target PI3K was evaluated. The energetics associated with static interactions revealed 1j as the most potential candidate and the dynamic investigations including RMSD, RMSF, Rg, SASA and hydrogen bonding also supported the same through relative stabilization induced through ligand interactions. Subsequently, the binding free energy of the Wortmannin and 1j complex calculated using MM-PBSA analysis. Further evaluations with PASS prediction algorithm also supported the above results. The studies reveal that there is evidence for considering appropriate pyrido fused imidazo[4,5-c]quinoline compounds as potential anti-tumor agents.

Biodegradable protein films from gallic acid and the cataractous eye protein isolate.

Films have been prepared from the natural antioxidant gallic acid and a proteinaceous source, the discarded emulsion obtained after cataract surgery referred to as the cataractous eye protein isolate (CEPI). Fourier transform spectroscopy (FTIR) and SDS PAGE studies confirmed the crosslinking of gallic acid with CEPI. The cross-section and surface of films were further characterized by scanning electron microscopy (SEM). The decrease in crystallinity of the films was confirmed by X-ray diffraction studies. The thermal property of the films is enhanced by the addition of gallic acid as evidenced from the Thermogravimetric analysis (TGA) studies. Films having 2% (w/w) gallic acid exhibited the maximum tensile strength of 2.88 ±â€¯0.32 MPa comparable to other cross-linked films such as soy, casein, canola based protein films. The light barrier property of the films improved with incorporation of gallic acid. The cross-linked films were degraded by the application of the enzyme trypsin. The films also showed good antioxidant properties as determined from the 2,2-diphenyl-1-picrylhydrazyl (DPPH) assay. The gallic acid incorporated nontoxic CEPI films are biodegradable and possess appreciable mechanical properties and could find use in diverse applications including pharmaceuticals.