Synthesis, anticancer evaluation, molecular docking and ADME study of novel pyrido[4ʹ,3ʹ:3,4]pyrazolo[1,5-a]pyrimidines as potential tropomyosin receptor kinase A (TrKA) inhibitors

Table 7 Interactions of compounds 7b, 16a, 16c, and Larotrectinib with 5H3Q enzyme

Compd. no	B. E. (S) Kcal/mol	Interaction groups	Interaction amino acids	length of hydrogen bonds Ǻ
Larotrectinib	− 7.1325	CO CH	Lys 544 Asp 668	2.99 Ǻ 3.06 Ǻ
7b	− 7.3801	CO Phenyl ring	Lys 544 His 489	2.98 Ǻ cation-cation
16a	− 7.0296	CO CO	Lys 544 Arg 673	3.12 Ǻ 3.46 Ǻ
16c	− 6.5837	CO CO Pyrazole ring	Met 587 Asp 596 Val 524	3.52 Ǻ 3.17 Ǻ cation-cation

ISSN: 2661-801X