نتایج جستجو برای: molecular docking simulation

تعداد نتایج: 1174741  

 Background and purpose: Leishmaniasis is one of the most important infectious diseases caused by different species of the Leishmania, which is a public health problem worldwide. So far, no effective vaccine is introduced for this disease and drug therapy is associated with many side effects. Therefore, this study was designed to identify novel FDA-approved compounds with anti-leishmanial activ...

2003
Ran Wei Robert E. Mahony David Austin

This paper proposes a new control method for stabilising control design for docking unicycle-like vehicles based on bearing-only information. An omni-directional panoramic camera is used to detect visual targets around the docking station and provides bearing (or heading) data for each observed landmark. The convergence of the controlled system is fully analysed and simulations are provided to ...

An interactive application, Modelface, was presented for Modeller software based on windows platform. The application is able to run all steps of homology modeling including pdb to fasta generation, running clustal, model building and loop refinement. Other modules of modeler including energy calculation, energy minimization and the ability to make single point mutations in the PDB structures a...

Background: Bioinformatic approaches for designing vaccines have become a promising alternative to conventional methods. We herein designed a multi-epitope-based vaccine against colorectal cancer (CRC). Methods: Used peptides in the CRC vaccines were retrieved from databases of PubMed, Web of Science, Google Scholar, and Clinical trials. The adjuvants of Mycobacterial heparin-binding hemagglut...

Journal: :iranian journal of pharmaceutical research 0
xinchi feng school of pharmacy, shenyang pharmaceutical university xin wang school of pharmacy, shenyang pharmaceutical university youping liu school of pharmacy, shenyang pharmaceutical university xin di school of pharmacy, shenyang pharmaceutical university,shenyang,china

linarin is a flavone glycoside in the plants flos chrysanthemi indici, buddleja officinalis, cirsium setosum, mentha arvensis and buddleja davidii, and has been reported to possess analgesic, antipyretic, anti-inflammatory and neuroprotective activities. in this paper, linarin was investigated for its ache inhibitory potential both in vitro and ex vivo. ellman’s colorimetric method was used for...

Journal: :avicenna journal of medical biochemistry 0
satish kumar bioinformatics and biochemistry centre, mahatma gandhi institute of medical sciences, maharashtra university of health sciences, maharashtra, india; bioinformatics and biochemistry centre, mahatma gandhi institute of medical sciences, maharashtra university of health sciences, maharashtra, india. tel: +91-7152284679, fax: +91-7152284038 lingaraja jena bioinformatics and biochemistry centre, mahatma gandhi institute of medical sciences, maharashtra university of health sciences, maharashtra, india maheswata sahoo bioinformatics and biochemistry centre, mahatma gandhi institute of medical sciences, maharashtra university of health sciences, maharashtra, india tapaswini nayak bioinformatics and biochemistry centre, mahatma gandhi institute of medical sciences, maharashtra university of health sciences, maharashtra, india kanchan mohod bioinformatics and biochemistry centre, mahatma gandhi institute of medical sciences, maharashtra university of health sciences, maharashtra, india sangeeta daf datta meghe institute of medical sciences, deemed university, maharashtra, india

materials and methods twelve natural compounds jaceosidin, withaferin a, curcumin, epigallocatechin-3-gallate (egcg), artemisinin, gingerol, ursolic acid, ferulic acid, berberin, silymarin, resveratrol, and indol-3-carbinol were docked against e6 and e7 oncoproteins of high-risk hpv types 16 and 18 using a protein-ligand docking software called autodock4.2. results out of these 12 natural compo...

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