TY - JOUR
T1 - Admet prediction and in silico analysis of mangostin derivatives and sinensetin on maltase-glucoamylase target for searching anti-diabetes drug candidates
AU - Prasetyanti, Intan Kris
AU - Sukardiman,
AU - Suharjono,
N1 - Publisher Copyright:
© 2021 Phcogj.Com. This is an open-access article distributed under the terms of the Creative Commons Attribution 4.0 International license.
PY - 2021/7
Y1 - 2021/7
N2 - Background: Diabetes mellitus (DM) is a complex chronic disease with hyperglycemia, which is glucose levels above normal whose number of sufferers is increasing. By inhibiting the human maltase-glucoamylase enzyme which is included in the starch-digestion pathway are used to delay glucose production and thus aid in the treatment of type II diabetes. Aims and Methods: To analyze the potential of mangostin derivatives (alpha-mangostin, beta-mangostin, gamma-mangostin) and sinensetin as anti-diabetes through ADMET prediction and in silico tests against human maltase-glucoamylase targets using the docking method with miglitol was used as a control. Result: The ligands α, β, γ-mangostin and sinensetin have good interactions with macromolecules and form hydrogen bonds also van der Waals on the macromolecule active side of human maltase-glucoamylase. Conclusion: The ADMET of mangostin derivatives (α, β, and γ), and sinensetin can be predicted by the pkCSM online tool, and they showed good affinity on maltase-glucoamylase target compared to standard drugs like miglitol.
AB - Background: Diabetes mellitus (DM) is a complex chronic disease with hyperglycemia, which is glucose levels above normal whose number of sufferers is increasing. By inhibiting the human maltase-glucoamylase enzyme which is included in the starch-digestion pathway are used to delay glucose production and thus aid in the treatment of type II diabetes. Aims and Methods: To analyze the potential of mangostin derivatives (alpha-mangostin, beta-mangostin, gamma-mangostin) and sinensetin as anti-diabetes through ADMET prediction and in silico tests against human maltase-glucoamylase targets using the docking method with miglitol was used as a control. Result: The ligands α, β, γ-mangostin and sinensetin have good interactions with macromolecules and form hydrogen bonds also van der Waals on the macromolecule active side of human maltase-glucoamylase. Conclusion: The ADMET of mangostin derivatives (α, β, and γ), and sinensetin can be predicted by the pkCSM online tool, and they showed good affinity on maltase-glucoamylase target compared to standard drugs like miglitol.
KW - Anti-diabetes
KW - Maltase-glucoamylase
KW - Mangostin derivatives
KW - Molecular docking
KW - Sinensetin
UR - http://www.scopus.com/inward/record.url?scp=85110991327&partnerID=8YFLogxK
U2 - 10.5530/pj.2021.13.113
DO - 10.5530/pj.2021.13.113
M3 - Article
AN - SCOPUS:85110991327
SN - 0975-3575
VL - 13
SP - 883
EP - 889
JO - Pharmacognosy Journal
JF - Pharmacognosy Journal
IS - 4
ER -