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Virtual screening, structure based pharmacophore mapping, and molecular simulation studies of pyrido[2,3-d]pyrimidines as selective thymidylate synthase inhibitors.
Kumar, Adarsh; Novak, Jurica; Singh, Ankit Kumar; Singh, Harshwardhan; Thareja, Suresh; Pathak, Prateek; Grishina, Maria; Verma, Amita; Kumar, Pradeep.
Afiliação
  • Kumar A; Department of Pharmaceutical Sciences and Natural Products, Central University of Punjab, Ghudda, Bathinda, India.
  • Novak J; Department of Biotechnology, University of Rijeka, Rijeka, Croatia.
  • Singh AK; Center for Artificial Intelligence and Cyber security, University of Rijeka, Rijeka, Croatia.
  • Singh H; Scientific and Educational Center 'Biomedical Technologies' School of Medical Biology, South Ural State University, Chelyabinsk, Russia.
  • Thareja S; Department of Pharmaceutical Sciences and Natural Products, Central University of Punjab, Ghudda, Bathinda, India.
  • Pathak P; Department of Pharmaceutical Sciences and Natural Products, Central University of Punjab, Ghudda, Bathinda, India.
  • Grishina M; Department of Pharmaceutical Sciences and Natural Products, Central University of Punjab, Ghudda, Bathinda, India.
  • Verma A; Laboratory of Computational Modeling of Drugs, Higher Medical and Biological School, South Ural State University, Chelyabinsk, Russia.
  • Kumar P; Laboratory of Computational Modeling of Drugs, Higher Medical and Biological School, South Ural State University, Chelyabinsk, Russia.
J Biomol Struct Dyn ; 41(23): 14197-14211, 2023.
Article em En | MEDLINE | ID: mdl-37154748
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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Antagonistas do Ácido Fólico / Farmacóforo Tipo de estudo: Diagnostic_studies / Prognostic_studies / Screening_studies Limite: Humans Idioma: En Ano de publicação: 2023 Tipo de documento: Article
Texto completo
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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Antagonistas do Ácido Fólico / Farmacóforo Tipo de estudo: Diagnostic_studies / Prognostic_studies / Screening_studies Limite: Humans Idioma: En Ano de publicação: 2023 Tipo de documento: Article