Table 5. Docking interaction analysis for a series of furan–thiazole hydrazones (4a–4n) against 2,2-dialkylglycine decarboxylase (PDB id: 1d7u).

Molecules	Affinity (kcal mol−1)	Hydrophobic interactions (distance, Å)	Halogen	H-bonding interactions (distance, Å)
4a	−4.56	Trp138(4.51, 4.73, 4.94); Ala245(3.99)	—	Lys272(3.55); Gln246(2.98)
4b	−4.99	Ala112(4.83); Gly11(3.99)	—	Trp138(3.04, 3.25); Ser215(2.80); Gln246(3.00, 3.07); Arg406(3.21); Lys272(3.37); Ser54(3.10)
4c	−6.88	Trp138(4.48, 4.76, 5.01); Ala245(3.95)	—	Gln246(2.99); Lys272(3.55)
4d	−7.39	Ala245(3.95); Trp138(4.53, 4.77, 4.99); Val396(4.54)	—	Gln246(2.97); Lys272(3.57)
4e	−3.91	Arg406(4.15); Trp138(4.62, 4.96, 5.00); Val396(4.64); Ala245(4.05)	—	Gln246(2.95)
4f	−7.89	Ala245(4.21)	—	Gln246(2.92); Trp138(3.34); Lys272(3.52)
4g	−9.65	Ala152(4.45); Trp138(4.64, 4.76, 4.79); Ala245(3.93)	Ser215(3.36)	Gln246(2.93); Lys272(3.62)
4h	−3.77	Trp138(4.51, 4.75, 5.00); Ala245(3.96)	—	Gln246(2.99); Lys272(3.55)
4i	−3.86	Arg(4.05); Val396(4.10); Trp138(4.51, 4.84, 4.96, 5.01); Ala245(3.87)	—	Gln246(2.98); Lys272(3.66)
4j	−3.33	Ala245(4.18); Thr110(3.60)	—	Gly111(3.14); Ala112(2.96); Gln246(2.80); Trp138(3.32); Lys272(3.61)
4k	−6.59	Trp138(4.68); Ala245(4.03)	—	Ser271(2.85); Leu280(1.92); Lys272(4.62); Gln246(3.03)
4l	−7.42	Ala245(3.91); Trp138(4.44, 4.80, 4.91)	—	Gln246(2.98); Lys272(3.56)
4m	−6.21	Trp138(4.61, 4.78, 5.04); Val396(4.25); Ala245(4.07)	—	Gln246(3.00)
4n	−2.94	Ala245(4.17); Thr110(3.80)		Ser109(2.34); Gly111(3.36); Lys272(3.74); Trp138(3.30); Gln246(2.80); Ala112(2.94)
Control (co-crystal)	−7.61	—		Asn115(2.80); Asp243(2.08); Gly111(3.00); Trp138(3.07); Ser215(2.47, 3.10); Gln246(3.10)