نتایج جستجو برای: molecular docking analysis

تعداد نتایج: 3331839  

Journal: Journal of Sciences Islamic Republic of Iran 2018
A. Asadipour A. Foroumadi B. Heidary Alizadeh Gh. Dehghan S. Moghimi V. Derakhsh Ahmadi

The binding interaction of novel podophyllotoxin derivative, (3R,4R)-4-((benzo[d][1,3]dioxol-5-yl)methyl)-dihydro-3-(hydroxy(3,4-dimethoxyphenyl) methyl) furan-2(3H)-one (PPT), with calf thymus DNA (ctDNA) has been examined using UV-Visible absorption spectrophotometry, fluorescence spectroscopy, viscosity measurement and molecular docking studies. UV-Vis absorption results showed hyperchromic ...

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Journal: Iranian Journal of Pharmaceutical Research 2020
Gholamreza Amin, Mehrdad Iranshahi, Motahareh Boozari, saba soltani, Samad Nejad Ebrahimi,

Four prenylated flavonoids including isosophoranone, sophoraflavanone G, alopecurone J, alopecurone P and a resveratrol derivative HPD (2-(4-hydroxyphenyl)-2,3-dihydrobenzo[b] furan-3,4,6-triol), were isolated from the roots of Sophora pachycarpa. The cytotoxic activity of obtained compounds was evaluated against A2780, A549, HeLa, and HCT116 human cancer cell lines. We also evaluated their his...

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Journal: :Journal of Medicinal Chemistry 2006

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Journal: :Molecules 2011

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Journal: :Journal of Pharmaceutical Research International 2021

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Journal: :BMC Bioinformatics 2019

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Journal: :Bangladesh Journal of Pharmacology 2014

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Journal: :In Silico Pharmacology 2017

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Journal: :Süleyman Demirel Üniversitesi Fen Bilimleri Enstitüsü Dergisi 2021

In this study, the lowest energy molecular structures were determined by conformational analysis of six drugs commonly used in cancer treatment, order to use as initial data for docking simulations. Using AutoDock Vina software, interaction mechanisms 6 FDA approved (Pemetrexed, Irinotecan, Tamoxifen, Gemcitabine, Topotecan and Temozolomide) with DNA investigated. addition, MM/PB(GB)SA calculat...

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Journal: :Bioinformation 2023

Myeloid leukemia 1 (MCL-1), a BCL-2 protein family member, acts as an anti-apoptotic by interacting with pro-apoptotic proteins. Its overexpression is frequently observed in numerous cancer types including breast cancer, and closely linked to the initiation progression of tumors well poor prognosis resistance therapeutic interventions. Here, database 3402 chemicals established activity against ...

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function paginate(evt) { url=/search_year_filter/ var term=document.getElementById("search_meta_data").dataset.term pg=parseInt(evt.target.text) var data={ "year":filter_year, "term":term, "pgn":pg } filtered_res=post_and_fetch(data,url) window.scrollTo(0,0); } function update_search_meta(search_meta) { meta_place=document.getElementById("search_meta_data") term=search_meta.term active_pgn=search_meta.pgn num_res=search_meta.num_res num_pages=search_meta.num_pages year=search_meta.year meta_place.dataset.term=term meta_place.dataset.page=active_pgn meta_place.dataset.num_res=num_res meta_place.dataset.num_pages=num_pages meta_place.dataset.year=year document.getElementById("num_result_place").innerHTML=num_res if (year !== "unfilter"){ document.getElementById("year_filter_label").style="display:inline;" document.getElementById("year_filter_place").innerHTML=year }else { document.getElementById("year_filter_label").style="display:none;" document.getElementById("year_filter_place").innerHTML="" } } function update_pagination() { search_meta_place=document.getElementById('search_meta_data') num_pages=search_meta_place.dataset.num_pages; active_pgn=parseInt(search_meta_place.dataset.page); document.getElementById("pgn-ul").innerHTML=""; pgn_html=""; for (i = 1; i <= num_pages; i++){ if (i===active_pgn){ actv="active" }else {actv=""} pgn_li="
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