Version 1
: Received: 21 May 2023 / Approved: 23 May 2023 / Online: 23 May 2023 (03:42:12 CEST)
How to cite:
Soodeen, S.; Justiz-Vaillant, A.; Jalsa, N. It Is Possible Molecular Docking of Carbohydrates to a Mycobacterium tuberculosis Molecule?. Preprints2023, 2023051550. https://doi.org/10.20944/preprints202305.1550.v1
Soodeen, S.; Justiz-Vaillant, A.; Jalsa, N. It Is Possible Molecular Docking of Carbohydrates to a Mycobacterium tuberculosis Molecule?. Preprints 2023, 2023051550. https://doi.org/10.20944/preprints202305.1550.v1
Soodeen, S.; Justiz-Vaillant, A.; Jalsa, N. It Is Possible Molecular Docking of Carbohydrates to a Mycobacterium tuberculosis Molecule?. Preprints2023, 2023051550. https://doi.org/10.20944/preprints202305.1550.v1
APA Style
Soodeen, S., Justiz-Vaillant, A., & Jalsa, N. (2023). It Is Possible Molecular Docking of Carbohydrates to a Mycobacterium tuberculosis Molecule?. Preprints. https://doi.org/10.20944/preprints202305.1550.v1
Chicago/Turabian Style
Soodeen, S., Angel Justiz-Vaillant and Nigel Jalsa. 2023 "It Is Possible Molecular Docking of Carbohydrates to a Mycobacterium tuberculosis Molecule?" Preprints. https://doi.org/10.20944/preprints202305.1550.v1
Abstract
Mincle, a C-type lectin, is expressed predominantly in macrophages, where it plays a role in the macrophage response to various microorganisms such as mycobacteria. Docking is a computational procedure in which various software packages generate different positions at which ligands bind to their receptors. Discovery Studio docking was used in Molegro Virtual Studios. ChemDraw and ChemDraw3D were used for ligand preparation and construction because the protein preparation performed using docking software was a very lengthy process. Mincle plays a novel and non-redundant role in the induction of inflammatory signaling in response to mycobacteria. One disadvantage of Molegro studio docking is that it does not show the metallic atoms with which it interacts but rather shows hydrogen bonding and amino acid interactions. Hypothetically, trehalose dimycolate (TDM) and trehalose dibenzenate (TDB) detected by macrophages ultimately lead to CARD9 signaling, thereby producing pro-inflammatory cytokines and chemokines that have the potential to be used therapeutically.
Chemistry and Materials Science, Applied Chemistry
Copyright:
This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
