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In silico guided designing of optimized benzochalcones derivatives as potent CYP1B1 inhibitors: An integrated in vitro and ONIOM study.
Sharma, Himani; Raju, Baddipadige; Narendra, Gera; Kumar, Manoj; Verma, Himanshu; Sharma, Bhavna; Tung, Gurleen Kaur; Kumar Jain, Subheet; Brás, Natércia F; Silakari, Om.
Afiliación
  • Sharma H; Molecular Modeling Lab (MML), Department of Pharmaceutical Sciences and Drug Research, Punjabi University, Patiala, Punjab, 147002, India.
  • Raju B; Molecular Modeling Lab (MML), Department of Pharmaceutical Sciences and Drug Research, Punjabi University, Patiala, Punjab, 147002, India.
  • Narendra G; Molecular Modeling Lab (MML), Department of Pharmaceutical Sciences and Drug Research, Punjabi University, Patiala, Punjab, 147002, India.
  • Kumar M; Molecular Modeling Lab (MML), Department of Pharmaceutical Sciences and Drug Research, Punjabi University, Patiala, Punjab, 147002, India.
  • Verma H; Molecular Modeling Lab (MML), Department of Pharmaceutical Sciences and Drug Research, Punjabi University, Patiala, Punjab, 147002, India.
  • Sharma B; Molecular Modeling Lab (MML), Department of Pharmaceutical Sciences and Drug Research, Punjabi University, Patiala, Punjab, 147002, India.
  • Tung GK; Center for Basic and Translational Research in Health Sciences, Guru Nanak Dev University, Amritsar, India.
  • Kumar Jain S; Center for Basic and Translational Research in Health Sciences, Guru Nanak Dev University, Amritsar, India.
  • Brás NF; LAQV, REQUIMTE, Departamento de Química e Bioquímica, Faculdade de Ciências, Universidade do Porto, Rua do Campo Alegre s/n, 4169-007, Porto, Portugal.
  • Silakari O; Molecular Modeling Lab (MML), Department of Pharmaceutical Sciences and Drug Research, Punjabi University, Patiala, Punjab, 147002, India. Electronic address: mmlpup73@gmail.com.
J Mol Graph Model ; 119: 108390, 2023 03.
Article en En | MEDLINE | ID: mdl-36502606
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Texto completo: 1 Bases de datos: MEDLINE Asunto principal: Citocromo P-450 CYP1A1 / Antineoplásicos Idioma: En Revista: J Mol Graph Model Asunto de la revista: BIOLOGIA MOLECULAR Año: 2023 Tipo del documento: Article País de afiliación: India
Texto completo
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Texto completo: 1 Bases de datos: MEDLINE Asunto principal: Citocromo P-450 CYP1A1 / Antineoplásicos Idioma: En Revista: J Mol Graph Model Asunto de la revista: BIOLOGIA MOLECULAR Año: 2023 Tipo del documento: Article País de afiliación: India