Cardiovascular diseases (CVDs), remaining a leading cause of morbidity and mortality worldwide, do represent a significant challenge in drug development [1]. There is a broad category of known congenital and acquired conditions (Figure 1) that affect the heart and vascular system, with major risk factors including hypertension, hyperlipidemia, obesity, diabetes, alcoholism, smoking, and genetic predisposition [2-6]. Despite advances in cardiovascular therapeutics, existing treatments primarily focus on symptom management and risk reduction, leaving the underlying molecular mechanisms of CVDs insufficiently addressed. Obviously, to develop novel small-molecule therapeutics, it is crucial to target key pathways involved in vascular inflammation, lipid metabolism, thrombogenesis, and myocardial injury [7-10].
Our cheminformatics team has developed a specialized Cardiovascular Disease Screening Library featuring over 9,000 drug-like small molecules with predicted activity against clinically relevant cardiovascular targets. This novel Screening Set provides an efficient tool to accelerate phenotypic and target-based screening in cardiovascular-focused drug discovery projects.
Library Design & Compound Selection:
- Computationally designed using a 2D fingerprint similarity search (Tanimoto similarity > 80 %)
- Reference set sourced from the ChEMBL, including molecules with confirmed biological activity (IC50, Ki < 10 μM, Inhibition > 25 %)
- Designed to target key molecular pathways involved in CVD pathophysiology, such as:
|
Protein targets linked to cardiovascular diseases:
|
Protein-protein interactions associated with CVD mechanisms:
|
The compound selection can be customized based on your requirements. Cherry-picking is available.
Please, contact us at orders@lifechemicals.com for any additional information and price quotations.
Representative screening compounds from the Screening Library
Reference:
- Kaminsky LA, German C, Imboden M, Ozemek C, Peterman JE, Brubaker PH. The importance of healthy lifestyle behaviors in the prevention of cardiovascular disease. Prog Cardiovasc Dis. 2022;70:8-15. doi:10.1016/j.pcad.2021.12.001.
- Sue LY, Leung AM. Levothyroxine for the Treatment of Subclinical Hypothyroidism and Cardiovascular Disease. Front Endocrinol (Lausanne). 2020;11:591588. doi:10.3389/fendo.2020.591588.
- Duell PB, Welty FK, Miller M, et al. Nonalcoholic Fatty Liver Disease and Cardiovascular Risk: A Scientific Statement From the American Heart Association. Arterioscler Thromb Vasc Biol. 2022;42(6):e168-e185. doi:10.1161/ATV.0000000000000153.
- Zhao S, Kusminski CM, Scherer PE. Adiponectin, Leptin and Cardiovascular Disorders. Circ Res. 2021;128(1):136-149. doi:10.1161/CIRCRESAHA.120.314458.
- Roerecke M. Alcohol's Impact on the Cardiovascular System. Nutrients. 2021;13(10):3419. doi:10.3390/nu13103419.
- Pietri P, Stefanadis C. Cardiovascular Aging and Longevity: JACC State-of-the-Art Review. J Am Coll Cardiol. 2021;77(2):189-204. doi:10.1016/j.jacc.2020.11.023.
- Nedkoff L, Briffa T, Zemedikun D, Herrington S, Wright FL. Global Trends in Atherosclerotic Cardiovascular Disease. Clin Ther. 2023;45(11):1087-1091. doi:10.1016/j.clinthera.2023.09.020.
- Tamargo J, Agewall S, Borghi C, et al. New pharmacological agents and novel cardiovascular pharmacotherapy strategies in 2022. Eur Heart J Cardiovasc Pharmacother. Published online May 11, 2023. doi:10.1093/ehjcvp/pvad034.
- Jain A, Kesharwani P, Garg NK, et al. Nano-constructed Carriers Loaded With Antioxidant: Boon For Cardiovascular System. Curr Pharm Des. 2015;21(30):4456-4464. doi:10.2174/1381612821666150803152033.
- https://www.researchgate.net/publication/280630317/figure/fig1/AS:391490237943808@1470349954014/Fig-1-Summary-of-common-cardiovascular-conditions.png.