Utilization of new attributes for evaluating a flower colour spectrum

Flower colour spectra were initially used in India to characterize the flora of urban localities (Nagrathna, 1968; Oommachan, 1973), but only on a presence-absence basis. In order to have a quantitative appraisal of the flower colour spectrum of the vegetation at a particular locality, the density of the species and the number of flowers on each plant should be taken into account. Only this gives the actual number of flowers of a particular colour per unit area: the flower density.     

Molecular modeling and prediction of binding mode and relative binding affinity of Art-Qui-OH with P. falciparum Histo-Aspartic Protease (HAP)

The relative binding affinity in terms of ΔΔG _bind-cald value of the antimalarial compound artemisinin-quinine hybrid is primarily derived and is discussed in this article with reference to the ΔG _bind-cald values of two known inhibitors Pepstatin-A and KNI-10006 complexed with HAP enzyme. The ΔG _bind-cald value for KNI-10006 and Pepstatin-A is -14.10 kcal/mol and -13.09 kcal/mol respectively. The MM-GB/SA scoring results in the relative binding energy (ΔΔG _bind-cald) of the hybrid molecule with respect to Pepstatin-A as 2.43 kcal/mol and 3.44 kcal/mol against KNI-10006. The overall binding mode of Art-Qui-OH resembles that of Pepstatin-A binding in HAP active site. We suggest here that the ΔΔG _bind-cald value & proposed binding mode of the Art-Qui-OH for HAP enzyme should be considered for further structure-based drug design effort.