Conformational analysis of diamide system HCO-L-Phenylalanine-NH2 by genetic algorithm

A. EL Guerdaoui, R. Tijar, B. El Merbouh, M. Bourjila, R. Drissi El Bouzaidi, A. El Gridani and M. EL Mouhtadi

Abstract

Present work reports a detailed conformational and energy study of diamide system HCO-L-Phenylalanine-NH2 using genetic algorithm based on multi-Niche crowding technique (MNC) coupled with semi-empirical method AM1. Analysis
showed the existence of 28 conformations covering 6 folds among 9 predicted with multi-dimensional conformational analysis MDCA. The relative stabilities are discussed in terms of hydrogen bonding established within the main chains,
and various other types of electrostatic interactions between the main chain and the side one.