fred docking software (OpenEye Scientific Software Inc)
90
Structured Review
OpenEye Scientific Software Inc
fred docking software
Fred Docking Software, supplied by OpenEye Scientific Software Inc, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/fred+docking+software/fred+docking+software/pm38914798-96-7-6
Average 90 stars, based on 1 article reviews
Fred Docking Software, supplied by OpenEye Scientific Software Inc, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/fred+docking+software/fred+docking+software/pm38914798-96-7-6
Average 90 stars, based on 1 article reviews
fred docking software - by Bioz Stars,
2026-09
90/100 stars
Images
Related Articles
other:Article Title: Synthetic Curcumin Analogues Present Antiflavivirus Activity In Vitro with Potential Multiflavivirus Activity from a Thiazolylhydrazone Moiety Article Snippet: Molecular docking was performed around the co-crystallized ligand of the structure deposited under PBD ID 1OKE [39] for DENV using Software:Article Title: Inhibitory Effect of Two Carbonic Anhydrases Inhibitors on the Activity of Major Cytochrome P450 Enzymes. Article Snippet: Background and Objectives Both AW-9A (coumarin derivative) and WES-1 (sulfonamide derivative) were designed and synthesized as potential selective carbonic anhydrase inhibitors and were tested for anticancer activity.. This study was undertaken to investigate their potential inhibitory effects on the major human cytochrome P450 (CYP) drug-metabolizing enzymes.. Methods Specific CYP probe substrates and validated analytical methods were used to measure the activity of the tested CYP enzymes. Article Title: Tetrahydrobenzo[h]quinoline derivatives as a novel chemotype for dual antileishmanial-antimalarial activity graced with antitubercular activity: Design, synthesis and biological evaluation. Article Snippet: Derivatives with tetrahydrobenzo[h]quinoline chemotype were synthesized via one-pot reactions and evaluated for their antileishmanial, antimalarial and antitubercular activities.. Based on a structure-guided approach, they were designed to possess antileishmanial activity through antifolate mechanism, via targeting Leishmania major pteridine reductase 1 (Lm-PTR1).. The in vitro antipromastigote and antiamastigote activity are promising for all candidates and superior to the reference miltefosine, in a low or sub micromolar range of activity. Article Title: Discovery of new pyridine-quinoline hybrids as competitive and non-competitive PIM-1 kinase inhibitors with apoptosis induction and caspase 3/7 activation capabilities Article Snippet: Then different conformations were generated for FRED docking via OpenEye OMEGA conformer generation software , . .. The docking was carried out using Article Title: New antileishmanial quinoline linked isatin derivatives targeting DHFR-TS and PTR1: Design, synthesis, and molecular modeling studies. Article Snippet: In a search for new drug candidates for one of the neglected tropical diseases, leishmaniasis, twenty quinolineisatin hybrids were synthesized and tested for their in vitro antileishmanial activity against Leishmania major strain.. All the synthesized compounds showed promising in vitro activity against the promastigote form in a low micromolar range (IC50 = 0.5084–5.9486 μM) superior to the reference miltefosine (IC50 = 7.8976 μM).. All the target compounds were then tested against the intracellular amastigote form and showed promising inhibition effects (IC50 = 0.60442–8.2948 μM versus 8.08 μM for miltefosine). Article Title: SAR of Novel 3-Arylisoquinolinones: meta -Substitution on the Aryl Ring Dramatically Enhances Antiproliferative Activity through Binding to Microtubules Article Snippet: .. The ability of compounds 2 – 8 to interact with the colchicine-binding site of tubulin was assessed using computational docking using the FRED docking software and the Article Title: VTT-006, an anti-mitotic compound, binds to the Ndc80 complex and suppresses cancer cell growth in vitro . Article Snippet: .. Docking was performed with |