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PHYSICOCHEMICAL AND PHARMACOKINETIC ANALYSIS AND DOCKING OF DRUG REPOSITIONING AGAINST SARS-COV-2: AN IN SILICO STUDY (Record no. 131033)
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| 000 -LEADER | |
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| fixed length control field | 01752nam a2200133 4500 |
| 008 - FIXED-LENGTH DATA ELEMENTS--GENERAL INFORMATION | |
| fixed length control field | 250211b |||||||| |||| 00| 0 eng d |
| 082 ## - DEWEY DECIMAL CLASSIFICATION NUMBER | |
| Item number | P.23-34 |
| 100 ## - MAIN ENTRY--PERSONAL NAME | |
| Personal name | Jackson A. Pereira |
| 245 ## - TITLE STATEMENT | |
| Title | PHYSICOCHEMICAL AND PHARMACOKINETIC ANALYSIS AND DOCKING OF DRUG REPOSITIONING AGAINST SARS-COV-2: AN IN SILICO STUDY |
| 520 ## - SUMMARY, ETC. | |
| Summary, etc. biblio.abstract | Studies on the development of effective and cost-effective oral drugs are the new priority of the pharmaceutical industry for the prevention and treatment of COVID-19. This work was based on the computational analysis of physicochemical parameters, pharmacokinetic and toxicological measurements, molecular docking and in silico measurement of the antiviral activity of 12 repositionable drugs. The Molinspiration platform (physical-chemical parameters), pkCSM® (absorption, distribution, metabolism and excretion), OSIRIS Property Explorer® (toxicological measurements), Seam® (Docking with the RdRp protein) and AVCpred server® (antiviral activity) were used. Considering the 12 selected repositionable drugs, molecular anchoring data with the RdRp protein, only the drug tilorone had lower binding energy than the control used in this study (Molnupiravir). Ledipasvir, daclatasvir and piperaquine showed the best percentage of antiviral inhibition considering the control pattern. ADMETox data showed that piperaquine has a high toxicological potential for mutagenesis, tumorigenesis and irritant effects. The findings of this study indicate that ledipasvir and daclatasvir showed greatest potential for inhibition RdRp and action against COVID-19. |
| 700 ## - ADDED ENTRY--PERSONAL NAME | |
| Personal name | Eduardo D. Costa |
| 773 0# - HOST ITEM ENTRY | |
| Host Biblionumber | 125265 |
| Host Itemnumber | 109625 |
| Place, publisher, and date of publication | Mumbai Indian Drugs Manufacturer's Association |
| Title | Indian Drugs |
| International Standard Serial Number | 0019-462X |
| 942 ## - ADDED ENTRY ELEMENTS (KOHA) | |
| Koha item type | Journal Article |
| Withdrawn status | Lost status | Source of classification or shelving scheme | Damaged status | Koha normalized classification for sorting | Not for loan | Location (home branch) | Sublocation or collection (holding branch) | Date acquired | Koha issues (times borrowed) | Koha full call number | Piece designation (barcode) | Koha date last seen | Price effective from | Koha item type |
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| Dewey Decimal Classification | P__2334 | SNDT Juhu | SNDT Juhu | 11/02/2025 | P.23-34 | JP68.2 | 11/02/2025 | 11/02/2025 | Journal Article |