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

Targeting ctDNA binding and elaborated in-vitro assessments concerning novel Schiff base complexes: Synthesis, characterization, DFT and detailed in-silico confirmation

2021 ◽  
Vol 322 ◽  
pp. 114977
Author(s):  
Ahmed M. Abu-Dief ◽  
Nashwa M. El-Metwaly ◽  
Seraj Omar Alzahrani ◽  
Afrah M. Bawazeer ◽  
Saad Shaaban ◽  
...  
Keyword(s):  
Schiff Base ◽  
In Silico ◽  
Schiff Base Complexes

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

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.

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