Exploring molecular structure (monomer & dimer), spectroscopic (FT-IR, FT-Raman, UV-Vis, NMR), TG/DTA, antibacterial and molecular docking investigation on 2-[2,3-dichloro-4-(2-methylidenebutanoyl)phenoxy] acetic acid by DFT and wavefunction analysis

Molecular structure, vibrational spectral, electron density analysis on linaloe oil and molecular docking efficacy against the therapeutic target on human immunodeficiency virus-1 organism (VIRAL protein)

“…We conclude the protein Chain: A acids interact with the Dimethyl-1,6-octadien-3-ol ligand. Protein chain A amino acids interacted with the VAL:25, LEU:21, ILE:48, ILE:55, and TYR:51amino groups performed as Hydrophobic Alkyl and Pi-Alkyl and GLN:18, amino acid groups interacting with the oxygen of ligand as hydrogen bond and unfavorable bump, van der waals of protein groups [ 49 ] GLN:22, GLU:47, THR:52, present in docking and the complete details are shown in Fig. 16 (a) and (b).…”