東華大學圖書館 |

Language: English

Help

回圖書館首頁

手機版館藏查詢

Back

Switch To: Labeled | MARC Mode | ISBD

Drug Repurposing for Covid-19 Using ...

Oztas, Deniz Yasar.

Linked to FindBook

Google Book

Amazon

博客來

Drug Repurposing for Covid-19 Using Molecular Docking Tools.

Record Type:	Electronic resources : Monograph/item
Title/Author:	Drug Repurposing for Covid-19 Using Molecular Docking Tools./
Author:	Oztas, Deniz Yasar.
Published:	Ann Arbor : ProQuest Dissertations & Theses, : 2021,
Description:	135 p.
Notes:	Source: Masters Abstracts International, Volume: 83-01.
Contained By:	Masters Abstracts International83-01.
Subject:	Bioinformatics. -
Online resource:	https://pqdd.sinica.edu.tw/twdaoapp/servlet/advanced?query=28548622
ISBN:	9798516952586

Drug Repurposing for Covid-19 Using Molecular Docking Tools.
Oztas, Deniz Yasar.

Drug Repurposing for Covid-19 Using Molecular Docking Tools. - Ann Arbor : ProQuest Dissertations & Theses, 2021 - 135 p.

Source: Masters Abstracts International, Volume: 83-01.

Thesis (M.Sc.)--Chapman University, 2021.

This item must not be sold to any third party vendors.

Since severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is highly contagious and mortal, finding a treatment is time critical. Drug repurposing is probably the quickest and safest approach in our arsenal. However, testing every drug in a brute force manner would require a lot of resources, and a more sophisticated method is required to filter possible candidates. Since several molecules have already been shown to be effective against SARS-CoV-2 in wet-lab experiments, choosing drugs with similar characteristics would increase our chances of success. In this study, we compare the molecular docking results of FDA-approved drugs from the ZINC database against the molecules with positive experimental results. AutoDock Vina was used to dock the molecules against the SARS-CoV-2 spike receptor bound to the ACE2 receptor (6M0J). Results were pre-filtered to 50 candidates according to their binding affinities and the 10 most promising molecules that have similar interactions with the experimental drugs were identified. Then, the 10 molecules were docked against B.1.1.7, B.1.351, and P.1 variants, and their inhibition potentials were discussed. According to the results, we conclude that some molecules that inhibit the wild type also have the potential to inhibit the variants as well. However, further experimental and clinical studies are needed.

ISBN: 9798516952586Subjects--Topical Terms:

553671
Bioinformatics.
Subjects--Index Terms:

Covid-19

Drug Repurposing for Covid-19 Using Molecular Docking Tools.
LDR:02535nmm a2200385 4500 001 2282104
005 20210927083541.5
008 220723s2021 ||||||||||||||||| ||eng d
020 $a 9798516952586
035 $a (MiAaPQ)AAI28548622
035 $a AAI28548622
040 $a MiAaPQ $c MiAaPQ
100 1 $a Oztas, Deniz Yasar. $3 3560853
245 1 0 $a Drug Repurposing for Covid-19 Using Molecular Docking Tools.
260 1 $a Ann Arbor : $b ProQuest Dissertations & Theses, $c 2021
300 $a 135 p.
500 $a Source: Masters Abstracts International, Volume: 83-01.
500 $a Advisor: Verkhivker, Gennady M.
502 $a Thesis (M.Sc.)--Chapman University, 2021.
506 $a This item must not be sold to any third party vendors.
520 $a Since severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is highly contagious and mortal, finding a treatment is time critical. Drug repurposing is probably the quickest and safest approach in our arsenal. However, testing every drug in a brute force manner would require a lot of resources, and a more sophisticated method is required to filter possible candidates. Since several molecules have already been shown to be effective against SARS-CoV-2 in wet-lab experiments, choosing drugs with similar characteristics would increase our chances of success. In this study, we compare the molecular docking results of FDA-approved drugs from the ZINC database against the molecules with positive experimental results. AutoDock Vina was used to dock the molecules against the SARS-CoV-2 spike receptor bound to the ACE2 receptor (6M0J). Results were pre-filtered to 50 candidates according to their binding affinities and the 10 most promising molecules that have similar interactions with the experimental drugs were identified. Then, the 10 molecules were docked against B.1.1.7, B.1.351, and P.1 variants, and their inhibition potentials were discussed. According to the results, we conclude that some molecules that inhibit the wild type also have the potential to inhibit the variants as well. However, further experimental and clinical studies are needed.
590 $a School code: 1538.
650 4 $a Bioinformatics. $3 553671
650 4 $a Computational chemistry. $3 3350019
650 4 $a Computer science. $3 523869
650 4 $a Biomedical engineering. $3 535387
653 $a Covid-19
653 $a Drug repurposing
653 $a Molecular docking
653 $a Severe acute respiratory syndrome coronavirus 2
653 $a ZINC database
690 $a 0715
690 $a 0219
690 $a 0984
690 $a 0541
710 2 $a Chapman University. $b Schmid College of Science & Technology. $3 3541548
773 0 $t Masters Abstracts International $g 83-01.
790 $a 1538
791 $a M.Sc.
792 $a 2021
793 $a English
856 4 0 $u https://pqdd.sinica.edu.tw/twdaoapp/servlet/advanced?query=28548622