Formulation of Novel Boswellic Acid Loaded-PEGlyated Nanoparticles and Effect on SARS COVID 19 Virus: in silico Docking Analysis and ADMET Studies

SARS COVID-19 virus is serious threats to the mankind changing its virulence. The pandemic emergence resulted in the change of health care scenario since its outbreak and suggested the inclusion of molecular modeling and combinatorial chemistry process that hastens the drug discovery process resulti...

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Veröffentlicht in:Asian journal of chemistry 2024-05, Vol.36 (6), p.1409-1416
Hauptverfasser: Thakur, Sneha, Kiranmai, M.
Format: Artikel
Sprache:eng
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Zusammenfassung:SARS COVID-19 virus is serious threats to the mankind changing its virulence. The pandemic emergence resulted in the change of health care scenario since its outbreak and suggested the inclusion of molecular modeling and combinatorial chemistry process that hastens the drug discovery process resulting in screening of large number of compounds for the therapeutic target proposed. The studies revealed that the boswellic acid (pentacyclic triterpenoid) obtained from gum resin of Boswellia serrata is found to have potential against the SARS covid virus. The present study was conducted to synthesize boswellic acid–PEG from isolated boswellic acid (gum resin of B. serrata) and evaluated the anti-covid potential of boswellic acid by in silico docking studies and toxicity analysis by ADMET Pro. The target protein PDB RNA polymerase (1S76), protease (6LU7), ACE2 (6M0J) were downloaded from RCDB database. The boswellic acid was active against the selected target proteins active for SARS virus entry into the cells and also prevent the viral multiplication. ADMET studies have proved slight endo-carcinogenecity, which increases with dose. Thus, this novel molecule can be developed as lead against the SARS virus by formulating boswellic acid–PEG nanoparticles with sustained release characteristics. As an attempt to develop the drug boswellic acid-PEG nanoparticles with PEG as permeation enhancer for oral drug delivery and characterized using DLS, FTIR, XRD and SEM techniques, which has proven the 253 nm size, stable, highly dispersed, spherical shape without any agglomeration. The drug release studies proved the sustained release nature of the nanoparticles, which leads to reduce dosage. Further, in vivo-in vitro correlation proves the clinical validation for drug discovery process.
ISSN:0970-7077
0975-427X
DOI:10.14233/ajchem.2024.31226