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QSAR, molecular docking, and molecular dynamics simulation–based design of novel anti-cancer drugs targeting thioredoxin reductase enzyme.

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Title: QSAR, molecular docking, and molecular dynamics simulation–based design of novel anti-cancer drugs targeting thioredoxin reductase enzyme.
Authors: Er-rajy, Mohammed1 (AUTHOR) errajy.mohammed@yahoo.com, Fadili, Mohamed El1 (AUTHOR), Mujwar, Somdutt2 (AUTHOR), Lenda, Fatima Zohra3 (AUTHOR), Zarougui, Sara1 (AUTHOR), Elhallaoui, Menana1 (AUTHOR)
Source: Structural Chemistry. Aug2023, Vol. 34 Issue 4, p1527-1543. 17p.
Database: Academic Search Ultimate
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  Data: QSAR, molecular docking, and molecular dynamics simulation–based design of novel anti-cancer drugs targeting thioredoxin reductase enzyme.
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  Data: <searchLink fieldCode="AR" term="%22Er-rajy%2C+Mohammed%22">Er-rajy, Mohammed</searchLink><relatesTo>1</relatesTo> (AUTHOR)<i> errajy.mohammed@yahoo.com</i><br /><searchLink fieldCode="AR" term="%22Fadili%2C+Mohamed+El%22">Fadili, Mohamed El</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Mujwar%2C+Somdutt%22">Mujwar, Somdutt</searchLink><relatesTo>2</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Lenda%2C+Fatima+Zohra%22">Lenda, Fatima Zohra</searchLink><relatesTo>3</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Zarougui%2C+Sara%22">Zarougui, Sara</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Elhallaoui%2C+Menana%22">Elhallaoui, Menana</searchLink><relatesTo>1</relatesTo> (AUTHOR)
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  Data: <searchLink fieldCode="JN" term="%22Structural+Chemistry%22">Structural Chemistry</searchLink>. Aug2023, Vol. 34 Issue 4, p1527-1543. 17p.
PLink https://search.ebscohost.com/login.aspx?direct=true&site=eds-live&db=asn&AN=165111820
RecordInfo BibRecord:
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      – Type: doi
        Value: 10.1007/s11224-022-02111-x
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      – Code: eng
        Text: English
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        PageCount: 17
        StartPage: 1527
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      – TitleFull: QSAR, molecular docking, and molecular dynamics simulation–based design of novel anti-cancer drugs targeting thioredoxin reductase enzyme.
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            NameFull: Er-rajy, Mohammed
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            NameFull: Fadili, Mohamed El
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            NameFull: Mujwar, Somdutt
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            NameFull: Lenda, Fatima Zohra
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            NameFull: Zarougui, Sara
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            NameFull: Elhallaoui, Menana
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            – D: 01
              M: 08
              Text: Aug2023
              Type: published
              Y: 2023
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              Value: 34
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            – TitleFull: Structural Chemistry
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