MOLECULAR DOCKING, PHARMACOPHORE MODELLING, AND ADME-TOXICITY PREDICTION OF CURCUMIN ANALOG COMPOUNDS AS INFLAMMATORY INHIBITOR ON RHEUMATOID ARTHRITIS
نویسندگان
چکیده
منابع مشابه
Molecular docking and in silico ADME prediction of Ticagrelor as an antagonist of the P2Y12 receptor
The purpose of the present research work is prediction of electronic and physico-chemical properties of the novel medicinal compound Ticagrelor (AZD6140) using density functional theory (DFT) method. Firstly, its molecular structure was optimized at B3LYP/6-311++G(d,p) basis set of theory at room temperature. The global reactivity indices used to study the reactivity and stability of the title ...
متن کاملIdentification of Potent Virtual Leads as Topoisomerase-ii Inhibitors Using Pharmacophore Modelling, Molecular Docking and Adme Studies
Topoisomerase enzymes are highly expressed in cells which undergo rapid multiplication. Inhibition of this enzyme represents a potential therapeutic approach for diseases such as cancer. In order to understand the structure activity correlation of 2, 4, 6 pyridine based topoisomerase inhibitor, we have carried out a combined pharmacophore modelling, 3D-QSAR studies, molecular docking and virtua...
متن کاملP 56 LCK Inhibitor Identification by Pharmacophore Modelling and Molecular Docking
N a g a k u m a r B h a r a t h a m e t a l. N a g a k u m a r B h a r a t h a m , K a v i t h a B h a r a t h a m ,
متن کاملMolecular docking and pharmacophore studies of heterocyclic compounds as Heat shock protein 90 (Hsp90) Inhibitors
Heat Shock Protein 90 was a key molecular chaperone involved in the proteome stability maintenance and its interference in many signaling networks associated with cancer progression, makes it of an important target for cancer therapeutics. The present study aimed to identify potential lead molecule among the selected heterocyclic compounds against Human Hsp90 (PDB: 1YET) through docking using G...
متن کاملComputational Design, Molecular Docking Study and Toxicity Prediction of Some Novel Pralidoxime Derivatives as reactivators of acetyl cholinesterase enzyme
Abstract Background & Objective: oximes as Acetylcholinesterase (AChE) reactivators were developed for the treatment of organophosphate compounds (OPCs) intoxication. Oximes also bind to the active site of AChE, simultaneously acting as reversible inhibitors. Organophosphorus compounds (OPCs) such as soman, sarin, or VX react with acetyl cholinesterase irreversibly. In this research, a group o...
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: International Journal of Pharmacy and Pharmaceutical Sciences
سال: 2017
ISSN: 0975-1491
DOI: 10.22159/ijpps.2017v9i9.20450