Self-assembled renewable nano-sized pentacyclic triterpenoid maslinic acids in aqueous medium for anti-leukemic, antibacterial and biocompatibility studies: An insight into targeted proteins-compound interactions based mechanistic pathway prediction through molecular docking.

Maslinic acid is a naturally occurring dihydroxy, mono-carboxy bioactive triterpenoid. Its bulky structure was the main hindrance in the path of biological activity. Sodium and potassium salts of nano-sized triterpenoid maslinic acid were prepared from maslinic acid and its self-assembly property was studied in aqueous and aqueous-organic binary liquid mixtures. Morphology of the compounds studied by Field Emission Scanning Electron Microscopy (FESEM), Atomic Force Microscopy (AFM), High Resolution Transmission Electron Microscopy (HRTEM), Optical Microscopy, Fourier Transform Infrared Spectroscopy (FTIR) and X-ray diffraction (XRD) revealed vesicular morphology of the self-assemblies. Selective cytotoxicity was performed in leukemic (K-562 and KG-1a) and PBMC cells. Among the three self-assemblies (maslinic acid 1, sodium maslinate 2 and potassium maslinate 3), sodium maslinate 2 showed better antileukemic efficacy. Sodium maslinate 2 induced apoptosis in leukemic cells by elevating ROS levels and disrupting the cellular antioxidant system. From the in-silico studies, it was confirmed that 2 interacted with extrinsic and intrinsic apoptotic proteins of leukemic cells and killed those cells by inducing apoptotic pathways. The compounds 1, 2 and 3 showed significant antibacterial efficacy against E.coli strain through binding with several periplasmic membrane fusion protein (MFP) and limiting the efflux system leading to arrestation of antimicrobial resistance.

Self-assembly of the monohydroxy triterpenoid lupeol yielding nano-fibers, sheets and gel: environmental and drug delivery applications.

Lupeol is a medicinally important naturally abundant triterpenoid having a 6-6-6-6-5 fused pentacyclic backbone and one polar secondary "-OH" group at the C3 position of the "A" ring. It was extracted from the dried outer bark of Bombax ceiba and its self-assembly properties were investigated in different neat organic as well as aquous-organic binary liquid mixtures. The triterpenoid having only one polar "-OH" group and a rigid lipophilic backbone self-assembled in neat organic non-polar liquids like n-hexane, n-heptane, n-octane and polar liquids like DMSO, DMF, DMSO-H2O, DMF-H2O, and EtOH-H2O yielding supramolecular gels via formation of nano to micrometre long self-assembled fibrillar networks (SAFINs). Morphological investigation of the self-assemblies was carried out by field emission scanning electron microscopy, high resolution transmission electron microscopy, atomic force microscopy, optical microscopy, concentration dependent FTIR and wide angle X-ray diffraction studies. The mechanical properties of the gels were studied by concentration dependent rheological studies in different solvents. The gels were capable of removing toxic micro-pollutants like rhodamine-B and 5,6-carboxyfluorescein as well as the toxic heavy metal Cr(vi) from contaminated water. Moreover release of the chemotherapeutic drug doxorubicin from a drug loaded gel in PBS buffer at pH 7.2 has also been demonstrated by spectrophotometry.

Statistics of Lyapunov exponent spectrum in randomly coupled Kuramoto oscillators.

Characterization of spatiotemporal dynamics of coupled oscillatory systems can be done by computing the Lyapunov exponents. We study the spatiotemporal dynamics of randomly coupled network of Kuramoto oscillators and find that the spectral statistics obtained from the Lyapunov exponent spectrum show interesting sensitivity to the coupling matrix. Our results indicate that in the weak coupling limit the gap distribution of the Lyapunov spectrum is Poissonian, while in the limit of strong coupling the gap distribution shows level repulsion. Moreover, the oscillators settle to an inhomogeneous oscillatory state, and it is also possible to infer the random network properties from the Lyapunov exponent spectrum.