نتایج جستجو برای: Docking study

تعداد نتایج: 3983098  

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: :iranian journal of pharmaceutical research 0
nima razzaghi-asl department of medicinal chemistry, faculty of pharmacy, ardabil university of medical sciences saghi sepehri department of medicinal chemistry, faculty of pharmacy, isfahan university of medical sciences ahmad ebadi 1) medicinal and natural products chemistry research center, shiraz university of medical sciences, shiraz, iran 2) department of medicinal chemistry, school of pharmacy, shiraz university of medical sciences, shiraz, iran ramin miri 1) medicinal and natural products chemistry research center, shiraz university of medical sciences, shiraz, iran 2) department of medicinal chemistry, school of pharmacy, shiraz university of medical sciences, shiraz, iran sara shahabipour department of medicinal chemistry, school of pharmacy, ardabil university of medical sciences, ardabil, iran

human immunodeficiency virus infection / acquired immunodeficiency syndrome (hiv/aids) is a disease pertained to the human immune system. given its crucial role in viral replication, hiv-1 protease (hiv-1 pr) is a prime therapeutic target in aids therapy. in this regard, the dynamic aspects of ligand-enzyme interactions may indicate an important role of conformational variability in hiv-1 pr in...

Journal: :iranian journal of basic medical sciences 0
nona pooryaghoobi 1department of chemistry, mashhad branch, islamic azad university, mashhad, ir iran mehdi bakavoli department of chemistry, school of sciences, ferdowsi university of mashhad, mashhad, 917751436, ir iran maliheh alimardani student research committee, department of laboratory sciences, school of paramedical sciences, mashhad university of medical sciences, mashhad, ir iran tahmineh bazzazan 2department of chemistry, school of sciences, ferdowsi university of mashhad, mashhad, 917751436, ir iran hamid sadeghian antimicrobial resistance research center, mashhad university of medical sciences, mashhad 91967-73117, ir iran 5 department of laboratory sciences, school of paramedical sciences, mashhad university of medical sciences, mashhad, ir iran

objective(s): recently we reported that the soybean 15-lipoxygenase (slo) inhibitory activity of pyrimido[4,5-b][l,4]benzothiazines largely depends on the orientation of sulfur atom of thiazine core towards feiii-oh in the active site pocket of the enzyme with subsequent oxidation of sulfur to sulfoxide. in this paper the results of a comparative study on the slo inhibitory activities of the me...

Journal: :iranian journal of basic medical sciences 0
maryam iman chemical injuries research center, baqiyatallah university of medical sciences, tehran, iran atefeh saadabadi department of medicinal chemistry, pharmaceutical sciences branch, islamic azad university, tehran, iran asghar davood department of medicinal chemistry, pharmaceutical sciences branch, islamic azad university, tehran, iran

objective(s): recently, phthalimide derivatives were designed based on ameltolide and thalidomide as they possess a similar degree of anticonvulsant potency due to their phenytoin-like profile. the ability of phthalimide pharmacophore to interact with neuronal voltage-dependent sodium channels was studied in the batrachotoxin affinity assay. therefore, in the present study, a series of 19 compo...

Journal: :research in pharmaceutical sciences 0

the antidiuretic effect of arginine vasopressin (avp) is mediated by the vasopressin v2 receptor. the docking study of avp as a ligand to v2 receptor helps in identifying important amino acid residues that might be involved in avp binding for predicting the lowest free energy state of the protein complex. whereas previous researchers were not able to detect the exact site of the ligand-receptor...

 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...

Human immunodeficiency virus infection / acquired immunodeficiency syndrome (HIV/AIDS) is a disease pertained to the human immune system. Given its crucial role in viral replication, HIV-1 protease (HIV-1 PR) is a prime therapeutic target in AIDS therapy. In this regard, the dynamic aspects of ligand-enzyme interactions may indicate an important role of conformational variability in HIV-1 PR in...

Human immunodeficiency virus infection / acquired immunodeficiency syndrome (HIV/AIDS) is a disease pertained to the human immune system. Given its crucial role in viral replication, HIV-1 protease (HIV-1 PR) is a prime therapeutic target in AIDS therapy. In this regard, the dynamic aspects of ligand-enzyme interactions may indicate an important role of conformational variability in HIV-1 PR in...

Journal: :iranian journal of pharmaceutical research 0
xian yang 1- college of resources and environment, southwest university, chongqing, 400716, p.r. china. 2- college of bioengineering, chongqing university, chongqing 400044, p.r. china. xue zhang chongqing academy of chinese materia medica, chongqing 400065, p.r. china. shui-ping yang college of resources and environment, southwest university, chongqing, 400716, p.r. china. wei-qi liu college of bioengineering, chongqing university, chongqing 400044, p.r. china.

in the present study, the antimicrobial tests of patchouli oil were studied by using molecular docking technology and antimicrobial test in vitro. five biological macromolecule enzymes, required by the bacteria in the process of biosynthesis were selected as target molecules. five antibiotics benzylpenicillin, sulfadiazine, trimethoprim, rifampicin and ciprofloxacin, which are generally acknowle...

Journal: :International Journal of Computer Applications 2010

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