scholarly journals In silico and in vitro assay of Hexagamavunon-6 analogs, Dibenzilyden-N-Methyl-4-piperidone as antibacterial agents

2020 ◽  
Vol 10 (3) ◽  
pp. 39-43
Keyword(s):  
In Silico ◽  
Antibacterial Agents ◽  
In Vitro Assay ◽  
Vitro Assay

scholarly journals Targeting AMPK signalling pathway with natural medicines for atherosclerosis therapy: an integration of in silico screening and in vitro assay

2015 ◽  
Vol 30 (11) ◽  
pp. 1240-1247 ◽  
Author(s):  
Tiantong Ou ◽  
Xumin Hou ◽  
Shaofeng Guan ◽  
Jinjie Dai ◽  
Wenzheng Han ◽  
...  
Keyword(s):  
In Silico ◽  
In Vitro Assay ◽  
Signalling Pathway ◽  
In Silico Screening ◽  
Vitro Assay ◽  
Natural Medicines

Screening for phospholipidosis induced by central nervous drugs: Comparing the predictivity of an in vitro assay to high throughput in silico assays

2010 ◽  
Vol 24 (5) ◽  
pp. 1417-1425 ◽  
Author(s):  
Natalie Mesens ◽  
Margino Steemans ◽  
Erik Hansen ◽  
Geert R. Verheyen ◽  
Freddy Van Goethem ◽  
...  
Keyword(s):  
High Throughput ◽  
In Silico ◽  
In Vitro Assay ◽  
Vitro Assay

Green Synthesis Strategy for New Schiff‐Base Complexes: Characterization, Conductometry, In Vitro Assay Confirmed by In Silico Approach

2020 ◽  
Vol 5 (33) ◽  
pp. 10256-10268 ◽  
Author(s):  
Hanadi Katouah ◽  
Ahmed M. Hameed ◽  
Arwa Alharbi ◽  
Fatmah Alkhatib ◽  
Reem Shah ◽  
...  
Keyword(s):  
Schiff Base ◽  
Green Synthesis ◽  
In Silico ◽  
In Vitro Assay ◽  
Schiff Base Complexes ◽  
Vitro Assay ◽  
Synthesis Strategy

scholarly journals Cyclooxygenase-2 Inhibitor Parecoxib Was Disclosed as a PPAR-γ Agonist by In Silico and In Vitro Assay

2021 ◽  
Author(s):  
Bin Xiao ◽  
Dan-dan Li ◽  
Ying Wang ◽  
Eun La Kim ◽  
Na Zhao ◽  
...  
Keyword(s):  
In Silico ◽  
In Vitro Assay ◽  
Cyclooxygenase 2 ◽  
Vitro Assay ◽  
Ppar Γ

scholarly journals IN SILICO AND IN VITRO ASSAY OF HGV ANALOGUE AS ANTIBACTERIAL

2019 ◽  
pp. 78-85
Author(s):  
Bambang Wijianto ◽  
RITMALENI . ◽  
HARI PURNOMO ◽  
ARIEF NURROCHMAD
Keyword(s):  
In Silico ◽  
Aldol Condensation ◽  
Antibacterial Activities ◽  
In Vitro Assay ◽  
Dilution Method ◽  
Qsar Study ◽  
Vitro Assay ◽  
E Coli ◽  
Parameterized Model

Objective: The objective of this research was to design a new analogue compound, hexagamavunon (HGV). Methods: New design of analogue compound, HGV, was performed by QSAR study using BuildQSAR program. In this QSAR study, parameterized model (PM3) method using the Polak-Ribière algorithm was applied to calculate the optimal geometric structures of the used compounds. The new analogue compound, HGV had been synthesized using aldol condensation reaction. The assay of antibacterial activities was performed using the dilution method. Molecular operating environment (MOE) program was used for protocol docking. Results: The results of QSAR study reveal the good relationship of antibacterial activities. The in vitro antibacterial activities of 2,6-bis((E)-3,5-dibromo-4-hydroxybenzylidene) cyclohexan-1-one (A113) indicates the good potential to against S. aureus, B. subtilis and E. coli with IC50 27.3 μg/ml, 30.9 μg/ml, 32 μg/ml respectively. This is in accordance with the in silico evaluation showing that 2,6-bis((E)-3,5-dibromo-4-hydroxybenzylidene) cyclohexan-1-one has lower docking score than both amoxicillin and cefoxitin do as the native ligand of receptor 3MZE. Conclusion: Based on in silico and in vitro assay, 2,6-bis((E)-3,5-dibromo-4-hydroxybenzylidene) cyclohexan-1-one (A113) has good antibacterial activities against S. aureus, B. subtilis, and E. coli.

Structural optimization of imidazothiazole derivatives affords a new promising series as B-Raf V600E inhibitors; synthesis, in vitro assay and in silico screening

2020 ◽  
Vol 100 ◽  
pp. 103967 ◽  
Author(s):  
Usama M. Ammar ◽  
Mohammed S. Abdel-Maksoud ◽  
Eslam M.H. Ali ◽  
Karim I. Mersal ◽  
Kyung Ho Yoo ◽  
...  
Keyword(s):  
Structural Optimization ◽  
In Silico ◽  
In Vitro Assay ◽  
In Silico Screening ◽  
Vitro Assay
Sign in / Sign up

Export Citation Format

Share Document