A perspective into"TEL" - Tenofovir, Emtricitabine, and Lamivudine antileprotic activities by drug repurposing and exploring the possibility of combination chemotherapy with drug rescued molecules for a leprosy free mankind.

Pugazhenthan ThangarajuSree Sudha T YA R VijayakumarIrfan NavabshanThameemul Ansari

Published in: Recent advances in anti-infective drug discovery (2023)

The CHARMm algorithm-based CDOCKER run docked all three molecules (TEL) inside the 4EO9 protein binding pocket (Mycobacterium leprae). The interaction analysis revealed that tenofovir had a better binding molecule with a score of -37.7297 kcal/mol than the other molecules.

Keyphrases

binding protein
antiretroviral therapy
machine learning
mycobacterium tuberculosis
dna binding
deep learning
adverse drug
hiv infected patients
single cell
emergency department
protein protein
transcription factor
neural network