Drug Likeness Screening and Evaluation of Physicochemical Properties of Selected Medicinal Agents by Computer Aided Drug Design Tools

نویسندگان

چکیده

The current drug research techniques, combinatorial synthesis and high throughput screening, help in obtaining pre-evaluating thousands of compounds a short duration time. Among the selected compounds, best hit molecule becomes lead, likeness property helps to optimize selection. Lipinski's Rule five is most widely used filter pre-evaluation according with poor oral absorption low permeation has molecular weight >500, ClogP >5, hydrogen bond acceptor more than 10 donor 5. To evaluate Five, top selling drugs 2018-19 were selected. 56 drugs, 12 (tenofovir disoproxil, sofosbuvir ledipasvir, sofosbuvir/velpatasvir, trastuzumab, glecaprevir, pegtilgrastion, Lumacaftor/ ivacaftor, fluticasone propionate salmetarol, elbasvir, darunavir ethanolate, Linagliptin, metformin, furoate vilanterol) did not fulfill rule. rule very useful selecting better compound chemolibraries, but should be carefully certain criterion due possible exclusion promising compounds.

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ژورنال

عنوان ژورنال: Advances in pharmacology and pharmacy

سال: 2022

ISSN: ['2332-0036', '2332-0044']

DOI: https://doi.org/10.13189/app.2022.100402