Meloxicam

ID	MW	HBD	HBA
54677470	351.4	2	5

RB	NOA	Rings	logP
4	7	3	3.43

Function

DrugBank ID:

DB00814

Description:

Meloxicam is a nonsteroidal anti-inflammatory drug (NSAID) used to relieve various types of pain, including pain caused by musculoskeletal conditions, osteoarthritis, and rheumatoid arthritis.With a longer half-life than most other NSAIDS, it is a favorable option for those who require once-daily dosing. Meloxicam is available in oral, transdermal, and intravenous formulations. It is a preferential COX-2 inhibitor, purportedly reducing the risk of adverse gastrointestinal tract effects, however, this is a topic of controversy. [DrugBank]

Targets:

Prostaglandin G/H synthase 2 (Humans); Prostaglandin G/H synthase 1 (Humans) [DrugBank]

Pharmacodynamics:

Meloxicam is an anti-inflammatory, analgesic analgesic with antipyretic effects in fever.1 Prostaglandins are substances that contribute to inflammation.7 This drug also exerts preferential actions against COX-23, which may reduce the possible gastrointestinal effects of this drug. [DrugBank]

Structures

SMILES:

Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1

2D structures:

3D structures:

Docking in target protein

Off-target analysis based on homologus proteins (Homo sapiens)

Homologus protein	Vina score	Identity	Uniprot ID	Download
TMPRSS11B	-9.1	39%	Q86T26	Ligand Receptor
PRSS56	-8.3	42%	P0CW18	Ligand Receptor
TMPRSS4	-8.2	43%	Q9NRS4	Ligand Receptor
Tryptase_gamma	-8.2	39%	Q9NRR2	Ligand Receptor
PKK	-8.0	42%	P03952	Ligand Receptor
TMPRSS11D	-8.0	43%	O60235	Ligand Receptor
Ovochymase-1	-7.7	41%	Q7RTY7	Ligand Receptor
TMPRSS9	-7.6	43%	Q7Z410	Ligand Receptor
Acrosin	-7.4	40%	P10323	Ligand Receptor
TMPRSS11E	-7.3	42%	Q9UL52	Ligand Receptor
TMPRSS5	-7.2	44%	Q9H3S3	Ligand Receptor
CTRL-1	-7.1	39%	P40313	Ligand Receptor
Chymotrypsinogen-B2	-6.9	39%	Q6GPI1	Ligand Receptor
Testisin	-6.9	39%	Q9Y6M0	Ligand Receptor
TMPRSS3	-6.5	47%	P57727	Ligand Receptor
TMPRSS13	-6.4	39%	Q9BYE2	Ligand Receptor
Chymotrypsinogen-B	-6.1	40%	Q9CR35	Ligand Receptor

Off-target analysis based on ligand similarity (Homo sapiens)

Step 1 - Target prediction for Meloxicam: SwissTargetPrediction

Tips: Click on the link to jump to the 'SwissTargetPrediction' webserver. Select the species of 'Homo sapiens', and then paste the SMILES of Meloxicam in the SMILES input box.

Step 2 - Blind docking for Meloxicam: CB-Dock

Tips: Click on the link to jump to the 'CB-Dock' webserver. Upload the structure file of target predicted by 'SwissTargetPrediction' and the 2D/3D structure file of Meloxicam to perform blind docking.

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