scholarly journals NEUROPROTECTIVE ACTIVITY OF EXTRACT OF CELERY (APIUM GRAVEOLENS) IN INSILICO STUDY

2021 ◽  
Vol 5 (2) ◽  
pp. 27-31
Author(s):  
Reza Mahendra ◽  
Ainul Rofik ◽  
Hotimah Masdan Salim ◽  
Maria Ulfa ◽  
Evy Silvia Awwaliyah
Keyword(s):  
Medicinal Plants ◽  
Secondary Metabolite ◽  
Experimental Research ◽  
In Silico ◽  
Neuroprotective Activity ◽  
Apium Graveolens ◽  
Pharmacological Effects ◽  
Neurotransmitter Secretion ◽  
Study Results ◽  
In Silico Study

Backround: Celery (Apium graveolens L., Apiaceae) is one of the medicinal plants with secondary metabolite components that have pharmacological effects such as vitamin (choline) content. This study aims to evaluate the mechanism and interaction of choline contained in celery on its effectiveness as a neuroprotective. Methods: This research is an experimental research using the in silico study. Results: The insilico search found that the choline content in celery binds to Slc5a7, Chat and Ache. Which has a function in the process of neurotransmitter biosynthesis, neurotransmitter metabolic processes and neurotransmitter secretion processes Conclusion: The celery (Apium graveolens L., Apiaceae)  have pharmacological activity as neuroprotective through the interaction of Slc5a7, Chat and Ache

scholarly journals Inhibition of Acetylcholinesterase and Butyrylcholinesterase by a Plant Secondary Metabolite Boldine

2018 ◽  
Vol 2018 ◽  
pp. 1-5 ◽  
Author(s):  
Adam Kostelnik ◽  
Miroslav Pohanka
Keyword(s):  
Toxic Effect ◽  
Secondary Metabolite ◽  
Cholinesterase Inhibitor ◽  
In Silico ◽  
Chemical Compounds ◽  
Spectrophotometric Assay ◽  
Plant Secondary Metabolite ◽  
Mechanism Of Inhibition ◽  
In Silico Study ◽  
Natural Alkaloid

Acetylcholinesterase (AChE) and butyrylcholinesterase (BChE) are two enzymes sensitive to various chemical compounds having ability to bind to crucial parts of these enzymes. Boldine is a natural alkaloid and it was mentioned in some older works that it can inhibit some kinds of AChE. We reinvestigated this effect on AChE and also on BChE using acetyl (butyryl) thiocholine and Ellman’s reagents as standard substances for spectrophotometric assay. We found out IC50 of AChE equal to 372 μmol/l and a similar level to BChE, 321 μmol/l. We conclude our experiment by a finding that boldine is cholinesterase inhibitor; however we report significantly weaker inhibition than that suggested in literature. Likewise, we tried to investigate the mechanism of inhibition and completed it with in silico study. Potential toxic effect on cholinesterases in real conditions is also discussed.

scholarly journals Inhibitory Effect of Phytochemicals from Azadirachta indica A Juss. and Tinospora cordifolia (Thunb.) Miers against SARS-CoV-2 M pro and Spike Protease- An In Silico Analysis

2020 ◽  
Author(s):  
RAMÀKRISHNAMACHARYA CH ◽  
VANITHA MURALIKUMAR ◽  
CHANDRASEKAR SESHACHALAM
Keyword(s):  
Medicinal Plants ◽  
Azadirachta Indica ◽  
In Silico ◽  
Viral Infections ◽  
In Silico Analysis ◽  
Inhibitory Effect ◽  
Tinospora Cordifolia ◽  
Reference Drug ◽  
In Silico Study ◽  
Silico Analysis

COVID 19 caused by SARS-CoV-2 is spreading worldwide and affected 10 million people with a mortality rate between 0.5 % to 5%. Medicinal plants from China, Morocco, Algeria, Africa and India were tested for antiviral efficacy in SARS-CoV-2. Ayurveda Medicine described many medicinal plants. The Nimba ( Azadirachta indica A. Juss) is used in fever, bacterial and viral infections, and Amrita ( Tinospora cordifolia (Thunb.) Miers) is used as antiviral, antipyretic, and anti-inflammatory purposes. The combination of both these plants is called Nimbamritam, and it is widely used in pyrexia, dermatitis, viral infections, etc. Spike protease (PDB ID 6VXX) and M pro (PDB ID 6LU) were retrieved from RCSB and 16 ligands from A. indica and 6 ligands from T. cordifolia were obtained from IMPPAT and PubChem. AutoDock Vina embedded PyRx was used for docking. Remdesivir was taken as a reference drug. In silico study of Cordifolide A of T cordifolia showed the highest scores with -8.2 Kcal/mol and -10.3Kcal/mol with M pro protease and Spike protease respectively. Cordifolide A had 4 H bonds and Kaempferol had 7 non-conventional bonds, including van der Waal with M pro (6LU7) protease. The interactions with 6VXX had 5 H bonds in each ligand Cordifolide A and Azadirachtin B. The prevention of virus entry by targeting spike protease host receptor ACE2 and restricting replication of the viral genome by targeting M pro residues were identified in our study. A. indica and T. cordifolia are promising therapeutic agents in COVID 19.

scholarly journals An Integrated In Silico and In Vitro Assays of Dipeptidyl Peptidase-4 and α-Glucosidase Inhibition by Stellasterol from Ganoderma australe

2019 ◽  
Vol 87 (3) ◽  
pp. 21 ◽  
Author(s):  
Krisyanti Budipramana ◽  
Junaidin Junaidin ◽  
Komar Ruslan Wirasutisna ◽  
Yanatra Budi Pramana ◽  
Sukrasno Sukrasno
Keyword(s):  
In Silico ◽  
Dipeptidyl Peptidase ◽  
Antidiabetic Activity ◽  
Resonance Spectroscopy ◽  
Dipeptidyl Peptidase 4 ◽  
13C Nuclear Magnetic Resonance ◽  
Study Results ◽  
In Silico Study ◽  
Ganoderma Australe ◽  
Isolated Compound

Background: Ganoderma fungus is rich in terpenoids. These compounds are known for their anti-hyperglycemic activities. However, the study of terpenoids as the secondary metabolite from Ganoderma as a dipeptidyl peptidase-4 (DPP-4) inhibitor remains unexplored. In addition, we examined the α-glucosidase inhibition activity. Objective: This study aimed to isolate the major terpenoid from non-laccate Ganoderma and examined its inhibitor activity on DPP-4 and α-glucosidase enzymes, and its interaction. Methods: The compound was isolated using column chromatography from Ganoderma australe. The structure of the isolated compound was confirmed by 1H and 13C nuclear magnetic resonance spectroscopy, while the inhibitory activity was evaluated using an enzymatic assay. The interaction of the isolated compound with DPP-4 and α-glucosidase enzymes was investigated using an in silico study. Results: The isolated compound was identified as stellasterol; IC50 values for DPP-4 and α-glucosidase inhibitor were 427.39 µM and 314.54 µM, respectively. This study revealed that the inhibitory effect of stellasterol on DPP-4 enzyme is through hydrophobic interaction, while the α-glucosidase enzyme is due to the interaction with six amino acids of the enzyme. Conclusion: Stellasterol is the major component of the steroid from G. australe. Enzyme inhibitory assay and in silico study suggest that stellasterol may contribute antidiabetic activity with a mechanism closer to acarbose rather than to sitagliptin.

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