Journal: Drug Invention Today

Article Id: JPRS-CPS-000070
Title: In silico prediction of selected pharmacokinetic and toxicity properties of some neuroactive steroids
Category: Chemistry and Parallel Synthesis
Section: Research Article
  • Abstract
  • Audio Abstract
  • Authors
  • Pdf File
  • Citation
  • My Reference
  • Methodology
  • Abstract

    Selected pharmacokinetic and toxic properties of some neuroactive steroids derived from pregnanolone and alphaxalone were predicted by in silico methods.Pregnanolone and alphaxalone were selected as lead molecules and a series of drug-like molecules derived from them were generated. Their pharmacokinetic and toxicity properties were calculated through the ADME and Tox boxes web version of pharma algorithms and ACD labs Chem. Sketch software version 12.0.All drug-like neuroactive steroids were predicted to be less toxic(LD50900 to 1020 mg/kg and 940 to 1020 mg/kg) with an enhancement in lipophilicity (c log P 3.31 to 4.73 and 5.06 to 6.41),protein binding (64% to 91% and 56%to 92%) and oral bioavailability(64% to 88% and 52% to 90%).From this study, it can be concluded that all the drug-like neuroactive steroids possess marked lipophilicity, rate of absorption, volume of distribution, protein binding and oral bioavailability.

  • Abstract Audio

    Click Here

  • About the authors and Affiliations

    Author(s) Name:

    K.K.Rajasekhar*,D.Ranganayakulu1, V.Shankarananth1, K.Rekha rani1, K.Swetha harika1 and K.Srividya1.

    Affiliation(s) Name:

    * ,1-Sri Padmavathi School of Pharmacy, Tiruchanoor, Tirupati, Andhra pradesh, India.

    *Corresponding author.
    K.K.Rajasekhar,
    Department of Pharmaceutical Chemistry,
    Sri Padmavathi School of pharmacy,
    Tiruchanoor,Tirupathi.A.P. India
    Tel.: + 91-9440592854
    E-mail: kkrspsp@yahoo.co.in

     

     


    Received on: 20-05-2009; Revised on: 21-07- 2009; Accepted on:15-10-2009

  • View Article File in pdf format.

    Article File
  • View Article Citation Here.

    1 View More
  • How to Cite my Article.

    Author:

    K.K.Rajasekhar*,D.Ranganayakulu1, V.Shankarananth1, K.Rekha rani1, K.Swetha harika1 and K.Srividya1.

    Title:In silico prediction of selected pharmacokinetic and toxicity properties of some neuroactive steroids
    Journal:Drug Invention Today
    Vol(issue):1 (January 2009)
    Year:2009
    Page No: (35-38)
  • Experimental Methods Keywords

    Methodology:In silico prediction,pharmacokinetic and toxicity properties were calculated,
    Research Materials:Pregnanolone and alphaxalone

Keywords

Neuro active steroids Pharmacokinetic properties Toxicity In silico methods.

Our Services

Most Downloaded List