Table 2.

Binding affinity of active compounds towards the envelope of DENV-2 virus

S. No	Compounds	CScorea	Crash scoreb	Polar scorec	G scored	PMF scoree	D scoref	Chem scoreg	No. of hydrogen bonds
1.	Nimbin	3.26	−1.11	0.01	−90.30	−10.14	−191.47	−15.507	4
2.	Azadirone	3.15	−1.11	0.01	−93.30	−15.143	175.23	−21.252	2
3.	Gedunin	3.11	−2.52	2.03	−104.87	−19.18	−206.00	−20.252	2
4.	Salannin	1.49	−1.34	1.47	−272.24	−28.690	−155.09	−22.227	1
5.	Ninbidol	1.44	−0.86	1.85	−206.94	8.424	−149.46	−20.544	1
6.	Azadirachtin	3.23	−1.10	0.01	−95.8	−13.52	−190.47	−16.206	4
7.	Panduratin*	1.25	−0.95	1.15	−205.91	−17.512	−138.32	−20.266	1

* Reference ligand

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

^bCrash-score revealing the inappropriate penetration into the binding site

^CPolar region of the ligand

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

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

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

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