Computer-aided discovery of novel SmDHODH inhibitors for schistosomiasis therapy: Ligand-based drug design, molecular docking, molecular dynamic simulations, drug-likeness, and ADMET studies.

Saved in:
Bibliographic Details
Title: Computer-aided discovery of novel SmDHODH inhibitors for schistosomiasis therapy: Ligand-based drug design, molecular docking, molecular dynamic simulations, drug-likeness, and ADMET studies.
Authors: Ja'afaru, Saudatu Chinade1,2 (AUTHOR) sjchinade@yahoo.co.uk, Uzairu, Adamu1 (AUTHOR), Hossain, Sharika3 (AUTHOR), Ullah, Mohammad Hamid4 (AUTHOR), Sallau, Muhammed Sani1 (AUTHOR), Ndukwe, George Iloegbulam1 (AUTHOR), Ibrahim, Muhammad Tukur1 (AUTHOR), Bayil, Imren5 (AUTHOR), Moin, Abu Tayab6 (AUTHOR) tayabmoin786@gmail.com
Source: PLoS Neglected Tropical Diseases. 9/12/2024, Vol. 18 Issue 9, p1-27. 27p.
Database: Academic Search Ultimate
Full text is not displayed to guests.
FullText Links:
  – Type: pdflink
Text:
  Availability: 1
Header DbId: asn
DbLabel: Academic Search Ultimate
An: 179620081
AccessLevel: 2
PubType: Academic Journal
PubTypeId: academicJournal
PreciseRelevancyScore: 0
IllustrationInfo
Items – Name: Title
  Label: Title
  Group: Ti
  Data: Computer-aided discovery of novel SmDHODH inhibitors for schistosomiasis therapy: Ligand-based drug design, molecular docking, molecular dynamic simulations, drug-likeness, and ADMET studies.
– Name: Author
  Label: Authors
  Group: Au
  Data: <searchLink fieldCode="AR" term="%22Ja'afaru%2C+Saudatu+Chinade%22">Ja'afaru, Saudatu Chinade</searchLink><relatesTo>1,2</relatesTo> (AUTHOR)<i> sjchinade@yahoo.co.uk</i><br /><searchLink fieldCode="AR" term="%22Uzairu%2C+Adamu%22">Uzairu, Adamu</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Hossain%2C+Sharika%22">Hossain, Sharika</searchLink><relatesTo>3</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Ullah%2C+Mohammad+Hamid%22">Ullah, Mohammad Hamid</searchLink><relatesTo>4</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Sallau%2C+Muhammed+Sani%22">Sallau, Muhammed Sani</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Ndukwe%2C+George+Iloegbulam%22">Ndukwe, George Iloegbulam</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Ibrahim%2C+Muhammad+Tukur%22">Ibrahim, Muhammad Tukur</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Bayil%2C+Imren%22">Bayil, Imren</searchLink><relatesTo>5</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Moin%2C+Abu+Tayab%22">Moin, Abu Tayab</searchLink><relatesTo>6</relatesTo> (AUTHOR)<i> tayabmoin786@gmail.com</i>
– Name: TitleSource
  Label: Source
  Group: Src
  Data: <searchLink fieldCode="JN" term="%22PLoS+Neglected+Tropical+Diseases%22">PLoS Neglected Tropical Diseases</searchLink>. 9/12/2024, Vol. 18 Issue 9, p1-27. 27p.
PLink https://search.ebscohost.com/login.aspx?direct=true&site=eds-live&db=asn&AN=179620081
RecordInfo BibRecord:
  BibEntity:
    Identifiers:
      – Type: doi
        Value: 10.1371/journal.pntd.0012453
    Languages:
      – Code: eng
        Text: English
    PhysicalDescription:
      Pagination:
        PageCount: 27
        StartPage: 1
    Titles:
      – TitleFull: Computer-aided discovery of novel SmDHODH inhibitors for schistosomiasis therapy: Ligand-based drug design, molecular docking, molecular dynamic simulations, drug-likeness, and ADMET studies.
        Type: main
  BibRelationships:
    HasContributorRelationships:
      – PersonEntity:
          Name:
            NameFull: Ja'afaru, Saudatu Chinade
      – PersonEntity:
          Name:
            NameFull: Uzairu, Adamu
      – PersonEntity:
          Name:
            NameFull: Hossain, Sharika
      – PersonEntity:
          Name:
            NameFull: Ullah, Mohammad Hamid
      – PersonEntity:
          Name:
            NameFull: Sallau, Muhammed Sani
      – PersonEntity:
          Name:
            NameFull: Ndukwe, George Iloegbulam
      – PersonEntity:
          Name:
            NameFull: Ibrahim, Muhammad Tukur
      – PersonEntity:
          Name:
            NameFull: Bayil, Imren
      – PersonEntity:
          Name:
            NameFull: Moin, Abu Tayab
    IsPartOfRelationships:
      – BibEntity:
          Dates:
            – D: 12
              M: 09
              Text: 9/12/2024
              Type: published
              Y: 2024
          Identifiers:
            – Type: issn-print
              Value: 19352727
          Numbering:
            – Type: volume
              Value: 18
            – Type: issue
              Value: 9
          Titles:
            – TitleFull: PLoS Neglected Tropical Diseases
              Type: main
ResultId 1