In Silico Studies on Selected Active Constituents of Genus Decumbens Species against Allergic Bronchopulmonary Aspergillosis
Abstract
A Arunprasath, Sreeram S and V Sankar Vel
Herbs have been employed in the treatment of various diseases and other medicinal purposes for a long time and they have been the zest of our life. Corbichonia decumbens an erect, short-lived succulent herb is found to possess zenith medicinal properties. At a first, the in-silico activity of the plant has been determined to carry out a modification in the Surfactant Protein-D (SP-D) which plays a pivotal role in defense against the Allergic Bronchopulmonary Aspergillosis (ABPA). The SP-D protein has been modified using in-silico tools thus making it more robust in containing ABPA. The protein SP-D when combined with the plant compound 1-methyl-3,5dinitro-1,2,4-triazole had binding energy of -6.98 and interactions with active site residue ASN-236, LYS-246, GLU-232, PHE-234 and, GLN-236. Being one of the first in-silico works carried out in the plant species it aims to provide a substantial base for future works and unwrap the potential of this herb in all aspects of medicinal plant science.