در هنگام جستجو کلمه در قسمت عنوان میتوانید کلمات مورد جستجو را با کاراکتر (-) جدا کنید.
کاربرد نوع شرط:
- جایگاه : پژوهشی
- مجله: Trends in Pharmaceutical Sciences
- نوع مقاله: Journal Article
- کلمات کلیدی: 1,Organic synthesis,In silico studies,Tyrosinase Inhibitor,3-Indandione
- چکیده:
- چکیده انگلیسی: Melanogenesis is a process of melanin synthesize, which is a primary response for the pigmentation of human skin. Tyrosinase is a key enzyme, which catalyzes a rate-limiting step of the melanin formation, natural products have shown potent inhibitors, but some of these possess toxicity. Numerous synthetic inhibitors have been developed in recent years may lead to the potent anti-tyrosinase agents. Therefore its inhibition may be an efficient way for the development of depigmenting agents. A novel series of 2-arylidine-1H-indene-1,3(2H)-dione analogs were designed, synthesized and screened for their in vitro tyrosinase inhibitory activity. 3d derivative bearing nitrothiophene revealed excellent anti-tyrosinase activity with an IC50 value of 3.55 μM comparable to kojic acid as a positive control. 3d as the most potent inhibitor and 3f as the least active derivative were subjected to in silico evaluations considering the 3D conformations, ΔGb of bindings and interactions within the active site of tyrosinase.
- انتشار مقاله: 30-06-1399
- نویسندگان: Aida Iraji,Ali Nemati,Hona Hosseinpoor,Najmeh Edraki,Mahsima Khoshneviszadeh,Mahshid Attarroshan,Hossein Sadeghpour,Mehdi Khoshneviszadeh
- مشاهده
- جایگاه : پژوهشی
- مجله: Trends in Pharmaceutical Sciences
- نوع مقاله: Journal Article
- کلمات کلیدی: Apoptosis,Bcl-2,Virtual screening,Cross docking,Phenanthrene triazine
- چکیده:
- چکیده انگلیسی: Apoptosis is critical for tissue homeostasis and for the physiological removal of abnormal cells. Bcl-2 family proteins are important regulators of apoptosis. It’s observed that antiapototic Bcl-2 family members are generally over expressed in many cancer cells. As a result, it has stimulated a growing interest in the discovery of small molecules targeting such proteins as potential anticancer therapeutics. With the aim of designing and virtual screening of new phenanthrene based Bcl-2 inhibitors, we performed a cross-docking study. This study is done for different available Bcl-2 X-ray crystal structures in order to find the most appropriate PDB code of this enzyme. After analytical analyses, we found a PDB code for the enzyme. Designed library of phenanthrene triazine containing different hydrazone moieties was further screened using selected crystal structure. It identifies the ligand which interacts the target with lower binding energy. As a conclusion, cross docking study could be a validated strategy for finding the most appropriate crystal structure for docking study. Our designed library of phenanthrene triazine-based derivatives containing hydrazone pendant could be served as potential candidates for Bcl-2 inhibition.
- انتشار مقاله: 04-05-1395
- نویسندگان: Mohammad Hasan Jamei,Mehdi Khoshneviszadeh,Najmeh Edraki,Maryam Firoozi,Zahra Haghighijoo,Rmin Miri,Amirhossein Sakhtaman
- مشاهده