Search
Now showing items 1-10 of 12
In silico screening of tangible-potential inhibitor of methionine aminopeptidase 2 for the treatment of cancer
(Kadir Has Üniversitesi, 2017)
Methionine Aminopeptidases (MetAPs) are divalent-cofactor dependent enzymes that are responsible for cleaving the initiator Methionine from the newly synthesized polypeptides. These metalloproteases are classified into two ...
In silico design of selective monoamine Oxidase B inhibitors using indane ring
(Kadir Has Üniversitesi, 2013)
in the present work 209952 analogs of an indane scaffold were created using various fragment moieties at different position of indane ring. CHEMPLP module of GOLD program is utilized in the screening process. in order to ...
De novo selective inhibitor design to neuronal NOS enzyme and exploration of the binding site
(Kadir Has Üniversitesi, 2013)
Neural Nitric Oxide Synthase (nNOS) is an enzyme that plays a significant role in neural signal transmission among brain cells by carrying on Nitric Oxide(NO) generation. nNOS is one of the member of Nitric Oxide Synthase ...
In silico design of selective neuronal nitric oxide synthase inhibitors in order to prevent neurodegenerative diseases
(Kadir Has Üniversitesi, 2013)
Nitric Oxide syntheses (NOS) are the family of enzymes which catalyzes the oxidation L-Arginine amino acid to nitric oxide molecule (NO) L-citrulline. Mammals contain three different NOS isozymes: Neuronal NOS (nNOS, in ...
In silico design of novel and highly selective cyclooxygenase-2 inhibitors
(Kadir Has Üniversitesi, 2014)
For many years, prevention of inflammation is achieved by inhibition of both cyclooxygenase (COX) enzymes; the eventual outcome is gastrointestinal toxicity. Selective inhibitor design for COX-2 initialized just after ...
In silico screening of neuronal nitric oxide synthase enzyme inhibitors
(Kadir Has Üniversitesi, 2014)
Three closely related isoforms of nitric oxide synthases (NOS) catalyze an important secondary messenger nitric oxide (NO) synthesis through oxidation of L-arginine to L-citrulline. These three NOS isoforms takes parts in ...
The design of potent HIV-1 integrase inhibitors by a combined approach of structure-based virtual screening and molecular dynamics simulation
(Taylor & Francis Ltd, 2018)
Bu araştırmanın amacı, AIDS olarak bilinen insan bağışıklık sistemine etki eden, duraksamayan ve depresif bir hastalığa neden olan HIV-1'in tedavisi için potansiyel inhibitörleri elde etmektir. HIV-1 integraz inhibitörleri, ...
Cis-cyclopropylamines as mechanism-based inhibitors of monoamine oxidases
(Wiley-Blackwell, 2015)
Cyclopropylamines inhibitors of monoamine oxidases (MAO) and lysine-specific demethylase (LSD1) provide a useful structural scaffold for the design of mechanism-based inhibitors for treatment of depression and cancer. For ...
Insights into the binding mode of new N-substituted pyrazoline derivatives to MAO-A: docking and quantum chemical calculations
(SPRINGER WIEN, 2013)
The binding modes of four N-substituted pyrazoline derivatives as novel MAO-A inhibitory agents were investigated using docking and quantum chemical molecular modelling tools.
Synthesis Molecular Docking and Anticancer Activity of Diflunisal Derivatives as Cyclooxygenase Enzyme Inhibitors
(MDPI, 2018)
Cyclooxygenase enzymes play a vital role in inflammatory pathways in the human body. Apart from their relation with inflammation the additional involvement of COX-2 enzyme with cancer activity was recently discovered. In ...