Background: Mantle cell lymphoma (MCL) is a type of non-Hodgkin lymphoma characterized
by the mutation and overexpression of the cyclin D1 protein by the reciprocal chromosomal
Aim: The present study aims to identify potential inhibition of MMP9, Proteasome, BTK, and TAK1
and determine the most suitable and effective protein target for the MCL.
Methodology: Nine known inhibitors for MMP9, 24 for proteasome, 15 for BTK and 14 for TAK1
were screened. SB-3CT (PubChem ID: 9883002), oprozomib (PubChem ID: 25067547), zanubrutinib
(PubChem ID: 135565884) and TAK1 inhibitor (PubChem ID: 66760355) were recognized as drugs
with high binding capacity with their respective protein receptors. 41, 72, 102 and 3 virtual screened
compounds were obtained after the similarity search with compound (PubChem ID:102173753),
PubChem compound SCHEMBL15569297 (PubChem ID:72374403), PubChem compound
SCHEMBL17075298 (PubChem ID:136970120) and compound CID: 71814473 with best virtual
Result: MMP9 inhibitors show commendable affinity and good interaction profile of compound holding
PubChem ID:102173753 over the most effective established inhibitor SB-3CT. The pharmacophore
study of the best virtual screened compound reveals its high efficacy based on various interactions.
The virtual screened compound's better affinity with the target MMP9 protein was deduced
using toxicity and integration profile studies.
Conclusion: Based on the ADMET profile, the compound (PubChem ID: 102173753) could be a
potent drug for MCL treatment. Similar to the established SB-3CT, the compound was non-toxic with
LD50 values for both the compounds lying in the same range.