Antimicrobial Activity and In Silico Molecular Docking Studies of Pentacyclic Spiro[oxindole-2,3′-pyrrolidines] Tethered with Succinimide Scaffolds
نویسندگان
چکیده
Three-component cascade reactions of (E)-3-arylidene-1-methyl-pyrrolidine-2,5-diones, L-valine and various isatin derivatives are described. A series 17 spiropyrrolidine with wide structural complexity diversity have been thus obtained in moderate to excellent yields under mild reaction conditions. The structure stereochemistry these N-heterocyclic cycloadducts has established by spectroscopic techniques unambiguously confirmed a single-crystal X-ray diffraction analysis performed on one derivative. UV-visible spectra recorded for all new compounds. Furthermore, the synthesized compounds screened their vitro antibacterial antifungal activities. Several exhibited good activities, comparable those known standard drugs Amphotericin B Tetracycline. Structural activity relationships (SARs) molecular docking most promising into binding sites glucosamine 6-phosphate synthase (GlcN6P) methionyl-trna-synthetase (1PFV) were also established. pharmacokinetic studies indicate that heterocycles exhibit acceptable predictive ADMET (absorption, distribution, metabolism, excretion, toxicity) properties drug ability.
منابع مشابه
antioxidant and antimicrobial activity of allium jesdianum extract
چکیده بررسی فعالیت ضد اکسیدانی و ضدمیکروبی عصاره گیاه بن سرخ (allium jesdianum) به کوشش: زهرا مقیمی هدف از این تحقیق بررسی میزان ترکیبات فنولی کل، ترکیبات فلاوونوئیدی کل، فعالیت ضداکسیدانی و ضدمیکروبی عصاره ی گیاه تازه و خشک بن سرخ بود. استخراج عصاره به روش های غوطه وری، استفاده از همزن مغناطیسی، دستگاه مایکروویو، امواج فراصوت و گرمادهی مقاومتی و با استفاده از متانول، اتانول و آب به عنوا...
Molecular Docking and In Silico Study of Denileukin Diftitox: Comparison of Wild Type With C519S-Mutant
Background: Denileukin diftitox (trade name, Ontak) is the first recombinant immunotoxin (IM), in which the binding domain of diphtheria toxin has been replaced by the amino acid sequence of human interleukin-2 (DT389IL-2) using genetic engineering. Purity, stability, and structural property of the protein are critical factors for the scale-up production of this fusion protein. In this IM, loca...
متن کاملIn Silico Screening Studies on Methanesulfonamide Derivatives as Dual Hsp27 and Tubulin Inhibitors Using QSAR and Molecular Docking
The expression of heat shock protein 27 (Hsp27) as a chaperone protein, is increased in response to various stress stimuli such as anticancer chemotherapy. This phenomenon can lead to survive of the cells and causes drug resistance. In this study, a series of methanesulfonamide derivatives as dual Hsp27 and tubulin inhibitors in the treatment of cancer were applied to quantitative structure–act...
متن کاملIsolation, in vitro antidiabetic, antioxidant activity and molecular docking studies of pentacyclic triterpenoids from Syzygium alternifolium (wt.) Walp bark
Diabetes mellitus type 2 is a metabolic disorder characterized by hyperglycemia including insulin resistance and relative lack of insulin. Type 2 diabetes is expected to reduce ten-year-shorter life expectancy. In this research article, we have isolated two terpenoids from the stem bark of Syzygium alternifoliumby column chromatography.The isolated compounds were identified as friedelin and 3β-...
متن کاملMolecular 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 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: Applied sciences
سال: 2021
ISSN: ['2076-3417']
DOI: https://doi.org/10.3390/app12010360