BIO101   Click here for help

GtoPdb Ligand ID: 11987

Synonyms: 20-Hydroxyecdysone | beta-Ecdysone | Crustecdysone | Ecdysterone | Sarconeos
PDB Ligand
Comment: BIO101 is pharmaceutical grade 20-hydroxyecdysone, the latter being a natural product found in the Asparagus filicinus fern, the trematode Trichobilharzia ocellata, and other organisms. Its activity as a non-peptidic activator of the class A orphan GPCR MAS1 has been proposed to offer potential clinical utility to counteract dysregulation of the renin-angiotensin system (RAS) in patients with COVID-19 respiratory failure [1-2]. Given the role of ACE2 in the RAS, and the disturbance of ACE2 function that likely ensues when SARS-CoV-2 spike protein binds to ACE2, it is feasible that the RAS will be dysregulated in COVID-19, and that ameliorating this disruption through targeted pharmacological intervention might be of potential clinical benefit.
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 6
Rotatable bonds 5
Topological polar surface area 138.45
Molecular weight 480.31
XLogP 1.05
No. Lipinski's rules broken 1
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Canonical SMILES O[C@H]1C[C@@]2(C)[C@@H](C[C@H]1O)C(=O)C=C1[C@@H]2CC[C@]2([C@@]1(O)CC[C@@H]2[C@]([C@@H](CCC(O)(C)C)O)(O)C)C
Isomeric SMILES C[C@]12CC[C@H]3C(=CC(=O)[C@H]4[C@@]3(C[C@@H]([C@@H](C4)O)O)C)[C@@]1(CC[C@@H]2[C@](C)([C@@H](CCC(C)(C)O)O)O)O
InChI InChI=1S/C27H44O7/c1-23(2,32)9-8-22(31)26(5,33)21-7-11-27(34)16-12-18(28)17-13-19(29)20(30)14-24(17,3)15(16)6-10-25(21,27)4/h12,15,17,19-22,29-34H,6-11,13-14H2,1-5H3/t15-,17-,19+,20-,21-,22+,24+,25+,26+,27+/m0/s1
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Summary of Clinical Use Click here for help
In 2018 the FDA and EMA have granted BIO101 orphan drug designation that allow it to be used adjunctively to combat progressive muscle degeneration and weakness in patients with Duchenne muscular dystrophy (DMD); via MAS receptor-mediated blockade of the production of the muscle growth inhibitor myoststin. It is being evaluated in clinical trials to determine therapeutic efficacy in sarcopenia (age-related degeneration of skeletal muscle) and COVID-19 respiratory failure (acting via a MAS receptor-mediated activation of the protective arm of the RAS).
Clinical Trials
Clinical Trial ID Title Type Source Comment References
NCT04472728 Testing the Efficacy and Safety of BIO101 for the Prevention of Respiratory Deterioration in COVID-19 Patients Phase 2/Phase 3 Interventional Biophytis
NCT03452488 A Double-blind, Placebo Controlled, Randomized INTerventional Clinical Trial (SARA-INT) Phase 2 Interventional Biophytis