Anti-Tuberculosis Activity in Punica granatum: In silico Validation and Identification of Lead Molecules
By: BASHEERA, SHEFIN
.
Contributor(s): SIVANANDAN, S.
Publisher: Mumbai Indian Journal of Pharmaceutical Science 2021Edition: Vol.83(2), March-April.Description: 316-330p.Subject(s): PHARMACEUTICSOnline resources: Click here
In:
Indian journal of pharmaceutical sciencesSummary: Discovery of novel drug against tuberculosis is inevitable since resistant bacterial strains are evolved
against existing drugs and rapidly active single drug in short period is necessary for e ffective treatment.
When compared to synthetic drugs, natural drugs particularly phytochemicals induce less side e ffects
and long term stability. In Indian traditional medicine, several plant species have been used for
treating tuberculosis and each plant species contains a plethora of phytochemicals. The e fficacy of such
treatment system and identification of the phytochemical with drug activity from plants has been seldom
investigated scienti fically. In this backdrop, the authors have validated the e fficacy of anti-tuberculosis
activity and identi fied lead molecule from a widely used plant species against several disease including
tuberculosis, viz Punica granatum L. The four promising target proteins viz mycolyltransferase antigen
protein 85C involved in cord factor synthesis, filamentous temperature sensitive protein Z involved in
bacterial cell division, pantothenate kinase involved in co-enzyme A pathway and decaprenylphosphoryl
β-D-ribofuranose-2 epimerase involved in the synthesis of virulent factor arabinan were docked with
243 phytochemicals derived fromPunica granatum. The docked molecules having binding energy≤-6 kcal/
mol were considered as active/hit molecules. The docked results showed that out of 243 phytochemicals,
126 have inhibitory activity on all selected target proteins. Further docking study using Glide and
absorption, distribution, metabolism, excretion and toxicity studies revealed that the compound derived
from the flowers, pomegranate can be recommended as the best lead compound against tuberculosis.
| Item type | Current location | Call number | Status | Date due | Barcode | Item holds |
|---|---|---|---|---|---|---|
Articles Abstract Database
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School of Pharmacy Archieval Section | Not for loan | 2021-2022604 |
Discovery of novel drug against tuberculosis is inevitable since resistant bacterial strains are evolved
against existing drugs and rapidly active single drug in short period is necessary for e ffective treatment.
When compared to synthetic drugs, natural drugs particularly phytochemicals induce less side e ffects
and long term stability. In Indian traditional medicine, several plant species have been used for
treating tuberculosis and each plant species contains a plethora of phytochemicals. The e fficacy of such
treatment system and identification of the phytochemical with drug activity from plants has been seldom
investigated scienti fically. In this backdrop, the authors have validated the e fficacy of anti-tuberculosis
activity and identi fied lead molecule from a widely used plant species against several disease including
tuberculosis, viz Punica granatum L. The four promising target proteins viz mycolyltransferase antigen
protein 85C involved in cord factor synthesis, filamentous temperature sensitive protein Z involved in
bacterial cell division, pantothenate kinase involved in co-enzyme A pathway and decaprenylphosphoryl
β-D-ribofuranose-2 epimerase involved in the synthesis of virulent factor arabinan were docked with
243 phytochemicals derived fromPunica granatum. The docked molecules having binding energy≤-6 kcal/
mol were considered as active/hit molecules. The docked results showed that out of 243 phytochemicals,
126 have inhibitory activity on all selected target proteins. Further docking study using Glide and
absorption, distribution, metabolism, excretion and toxicity studies revealed that the compound derived
from the flowers, pomegranate can be recommended as the best lead compound against tuberculosis.
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