Reverse Docking, Molecular Docking, Absorption, Distribution, and Toxicity Prediction of Artemisinin as an Anti-diabetic Candidate

نویسندگان
چکیده

برای دانلود باید عضویت طلایی داشته باشید

برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

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 کامل

Computational 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 کامل

The effect of podophyllotoxin as an inducer of apoptosis using molecular docking method

Background and aim: Podophyllotoxin is used as one of the main treatments for genital warts. It is a precursor of etoposide and teniposide, which is used in the treatment of various cancers. Despite a large number of cancer studies, the exact mechanism of podophyllotoxin remains unknown. Chemotherapy drugs reduce cancer cells by inducing apoptosis. The regulation of the apoptotic pathway has be...

متن کامل

Synthesis and molecular docking of novel N-((2-chloroquinolin-3-yl) methylene)-4-methylbenzenamine derivatives as anti-HIV-1 reverse transcriptase inhibitors

In this research work, a proficient method has been developed for the preparation of novel N-((2-chloroquinolin-3-yl) methylene)-4-methylbenzenamine derivatives from 2-chloroquinoline-3-carbaldehyde derivatives and p-toluidine in ethanol as solvent and using catalytic amount of acetic acid under reflux conditions to obtain desired products in good yields. The identification of all the synthesiz...

متن کامل

Design, Molecular Docking Studies and Toxicity Prediction of Some Novel 1, 2, 3-Triazole Derivatives Containing Piperazine Moiety as Antifungal Agents and CYP-51 Inhibitors

Background & Objective: In this study, a number of new triazole derivatives, containing a 1, 2, 3-triazole ring attached to the piperazine moiety as antifungal agents and lanosterol 14 alpha-demethylase, (CYP51) inhibitors were docking studies conducted. In the following, the toxicity risks of the designed compounds, were predicted by existing software. Materials & methods: Initially, the chemi...

متن کامل

ذخیره 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: Molekul

سال: 2020

ISSN: 2503-0310,1907-9761

DOI: 10.20884/1.jm.2020.15.2.579