STUDI MOLECULAR DOCKING SENYAWA GOLONGAN FLAVONOL SEBAGAI ANTIBAKTERI
نویسندگان
چکیده
منابع مشابه
Antioxidant properties of flavonoids
Flavonoids, metabolit sekunder terbanyak yang bersumber dari tanaman, telah lama dimanfaatkan sebagai obat tradisional dan secara ilmiah juga telah terbukti memiliki efek farmakologi. Senyawa ini juga memiliki beragam manfaat terhadap kesehatan sehingga sangat berpotensi sebagai bahan baku untuk pengembangan obat baru. Penelitian terbaru memaparkan pemanfaatan flavonoids sebagai antioksidan unt...
متن کاملMolecular Docking of Aromatase Inhibitors
Aromatase is an enzyme that plays a critical role in the development of estrogen receptor positive breast cancer. As aromatase catalyzes the aromatization of androstenedione to estrone, a naturally occurring estrogen, it is a promising drug target for therapeutic management. The undesirable effects found in aromatase inhibitors (AIs) that are in clinical use necessitate the discovery of novel A...
متن کاملMolecular docking using surface complementarity.
A method is described to dock a ligand into a binding site in a protein on the basis of the complementarity of the intermolecular atomic contacts. Docking is performed by maximization of a complementarity function that is dependent on atomic contact surface area and the chemical properties of the contacting atoms. The generality and simplicity of the complementarity function ensure that a wide ...
متن کاملBenchmarking sets for molecular docking.
Ligand enrichment among top-ranking hits is a key metric of molecular docking. To avoid bias, decoys should resemble ligands physically, so that enrichment is not simply a separation of gross features, yet be chemically distinct from them, so that they are unlikely to be binders. We have assembled a directory of useful decoys (DUD), with 2950 ligands for 40 different targets. Every ligand has 3...
متن کاملMultipose Binding in Molecular Docking
Molecular docking has been extensively applied in virtual screening of small molecule libraries for lead identification and optimization. A necessary prerequisite for successful differentiation between active and non-active ligands is the accurate prediction of their binding affinities in the complex by use of docking scoring functions. However, many studies have shown rather poor correlations ...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: JOPS (Journal Of Pharmacy and Science)
سال: 2018
ISSN: 2615-1006,2622-9919
DOI: 10.36341/jops.v1i2.489