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QSAR, Molecular Docking, MD Simulation and MMGBSA Calculations Approaches to Recognize Concealed Pharmacophoric Features Requisite for the Optimization of ALK Tyrosine Kinase Inhibitors as Anticancer Leads.
Jawarkar, Rahul D; Sharma, Praveen; Jain, Neetesh; Gandhi, Ajaykumar; Mukerjee, Nobendu; Al-Mutairi, Aamal A; Zaki, Magdi E A; Al-Hussain, Sami A; Samad, Abdul; Masand, Vijay H; Ghosh, Arabinda; Bakal, Ravindra L.
Afiliação
  • Jawarkar RD; Faculty of Pharmacy, Oriental University, Indore 453555, Madhya Pradesh, India.
  • Sharma P; Faculty of Pharmacy, Oriental University, Indore 453555, Madhya Pradesh, India.
  • Jain N; Faculty of Pharmacy, Oriental University, Indore 453555, Madhya Pradesh, India.
  • Gandhi A; Department of Chemistry, Government College of Arts and Science, Aurangabad 431004, Maharashtra, India.
  • Mukerjee N; Department of Microbiology, Ramakrishna Mission Vivekananda Centenary College, Kolkata 700118, West Bengal, India.
  • Al-Mutairi AA; Department of Chemistry, Faculty of Science, Imam Mohammad Ibn Saud Islamic University, Riyadh 13318, Saudi Arabia.
  • Zaki MEA; Department of Chemistry, Faculty of Science, Imam Mohammad Ibn Saud Islamic University, Riyadh 13318, Saudi Arabia.
  • Al-Hussain SA; Department of Chemistry, Faculty of Science, Imam Mohammad Ibn Saud Islamic University, Riyadh 13318, Saudi Arabia.
  • Samad A; Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Tishk International University, Erbil 44001, Kurdistan Region, Iraq.
  • Masand VH; Department of Chemistry, Vidyabharati Mahavidyalalya, Camp Road, Amravati 444602, Maharashtra, India.
  • Ghosh A; Microbiology Division, Department of Botany, Gauhati University, Guwahati 781014, Assam, India.
  • Bakal RL; Department of Medicinal Chemistry, Dr. Rajendra Gode Institute of Pharmacy, University-Mardi Road, Amravati 444603, Maharashtra, India.
Molecules ; 27(15)2022 Aug 03.
Article em En | MEDLINE | ID: mdl-35956900
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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Relação Quantitativa Estrutura-Atividade / Inibidores de Proteínas Quinases Tipo de estudo: Prognostic_studies Idioma: En Ano de publicação: 2022 Tipo de documento: Article
Texto completo
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Buscar no Google

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Relação Quantitativa Estrutura-Atividade / Inibidores de Proteínas Quinases Tipo de estudo: Prognostic_studies Idioma: En Ano de publicação: 2022 Tipo de documento: Article