Apparent molar volumes (ϕ V ) and viscosity B coefficients for l-alanine in (0.005, 0.010, 0.015, and 0.020) mol · dm −3 aqueous silver sulphate (Ag 2 SO 4 ) solutions were determined from the solution density and viscosity measurements at (298.15, 308.15, and 318.15) K as a function of amino acid concentration. The standard partial molar volumes (ϕ 0 V ) and experimental slopes (S * V ) obtained from the Masson equation were interpreted in terms of solute-solvent and solute-solute interactions, respectively. To analyze solution viscosities in terms of viscosity B coefficients, the Jones-Dole equation was applied. The structure-making or -breaking ability of the amino acid has also been discussed in terms of the sign of (δ 2 ϕ 0 V /δT 2 ) P . The activation parameters of viscous flow for the ternary solutions were also derived and explained in terms of transition state theory.

Highlights Six azo imidazole derivatives have been synthesized and characterized by spectroscopic and analytical tools. Inhibitory potential against main protease (6LU7) have been investigated using computational techniques. Binding energy of the ligands has found in the range −6.7 Kcal/mole to −8.1 Kcal/mole. The order of the ligands towards the protein 6LU7 are L5> L4≈L6>L1>L2>L3.

Highlights Four Azo imidazole derivatives (L1-L4) have been synthesized and characterized by different spectroscopic and analytical tools. The inhibitory potential of the derivatives (L1-L4) against main protease (M pro , 6LU7) have been investigated using computational techniques. Molecular docking results showed that the derivatives (L1-L4) could act as potential inhibitor against the protein 6LU7 of SARS-CoV-2. Binding energy (ΔG) values of the ligands (L1-L4) against the protein 6LU7 have found to be −7.7 Kcal/mole (L1), −7.0 Kcal/mole (L2), −7.9 Kcal/mole (L3) and 7.9 Kcal/mole (L4). Pharmacokinetic properties of the derivatives (L1-L4) have also been investigated using SWISSADME program.

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