Dapson in heterocyclic chemistry, part VIII: synthesis, molecular docking and anticancer activity of some novel sulfonylbiscompounds carrying biologically active 1,3-dihydropyridine, chromene and chromenopyridine moieties

Table 1 Binding scores and amino acid interactions of the docked compounds on the active site of farnesyltransferase (FT)

Compound no.	S Kcal/Mol	Amino acid interactions	H bond length A^o	Interaction with Zn
2	-22.2685	Leu B295, Lys B294	3.37, 2.76	No interaction
3	-37.4155	Lys A164, Arg B202	3.39, 2.53-3.14	CN
4	-25.1368	Lys B234, Tyr B334, LysB358, Arg B202	3.08, 2.75, 3.28, 2.73	SO₂
5	-22.9916	Lys B294, Lys A164, Gln A167, Arg B202	3.47, 2.84, 3.00, 3.09	C = O
6	-31.4218	Lys A164, Arg B202	2.49, 3.28	SO₂
7	-30.3616	Arg B291, Arg B202	3.19, 2.47-2.96	CN
8	-26.5141	Arg B291, Lys B294	3.55, 2.94	CN
9	-25.5855	Lys B294, Lys A168, His B362	2.58, 2.76, 3.19	CN
10	-27.1374	Ser B99, Ser B367, Arg B291	3.30, 3.05, 2.56	No interaction
11	-23.4085	Trp B102, Lys A168	2.75, 2.80	C = O
12	-28.7413	Lys A164, Ser B99	3.00, 3.25	CN
13	-27.1676	Lys A164, Arg B202	2.48, 2.76	SO₂
14	-28.8232	Lys A164, Arg B202	2.81, 2.89-3.25	C = O
15	-32.2519	Tyr B300, Asn A165	3.10, 3.32	CN
16	-38.0536	Arg B202, Arg B291, Lys B294	2.57, 3.01, 3.39	CN
17	-19.9521	Lys B353, Gly B290, Lys B294, Arg B202	2.78, 3.29, 2.67, 3.13	No interaction
18	-23.0290	Leu B295, Lys B294	3.05, 2.61	No interaction
19	-32.9232	Arg B291	3.81	CN
20	-24.4073	Arg B202	2.35	C = O
21	-29.7807	Tyr B300	2.85	C = O
22	-38.6191	Arg B202, Asp B352	2.92, 1.96	C = O, NH
23	-38.8898	Lys A164, Arg B202	2.81, 2.49-2.55	C = O, C = O
24	-45.9317	Lys A164, Arg B202	2.83, 2.46-2.45	C = O, NH

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