Table 4.

Binding affinity of active compounds towards the envelope of DENV-4 virus

S. No	Compounds	CScorea	Crash scoreb	Polar scorec	G scored	PMF scoree	D scoref	Chem scoreg	No. of hydrogen bonds
1.	Nimbin	3.37	−0.77	1.10	−85.944	13.383	−174.23	−18.83	4
2.	Azadirone	3.11	−0.99	1.28	−92.730	1.031	−162.25	−11.90	2
3.	Gedunin	3.06	−0.76	2.72	−83.563	0.991	−144.51	−18.825	3
4.	Ninbidol	1.04	−1.20	2.62	−347.54	8.945	−128.58	−21.90	2
5.	Salannin	0.71	−1.62	1.25	−172.65	10.358	−163.34	−23.687	1
6.	Azadirachtin	3.05	−0.82	1.35	−87.378	2.274	−158.75	−16.423	4
7.	Panduratin*	1.75	−1.27	2.17	−285.31	7.425	−159.27	−22.584	1

* Reference ligand

^a CScore is a consensus scoring which uses multiple types of scoring functions to rank the affinity of ligands

^b Crash-score revealing the inappropriate penetration into the binding site

^C Polar region of the ligand

^d G-score showing hydrogen bonding, complex (ligand–protein), and internal (ligand–ligand) energies

^e PMF-score indicating the Helmholtz free energies of interactions for protein–ligand atom pairs (Potential of Mean Force, PMF)

^f D-score for charge and van der Waals interactions between the protein and the ligand

^g Chem-score points for hydrogen bonding, lipophilic contact, and rotational entropy, along with an intercept term