Anti-quorum sensing activity of &#945;-amidoamides against Agrobacterium tumefaciensNT1: Insights from molecular docking and dynamic investigations to synergistic approach of metronidazole release from gel formulations.

Sebastian, Sharol; Rohila, Yajat; Ansari, Azaj; Sengupta, Sounok; Kumar, Deepak; Srivastava, Namita; Kumar, Lokender; Gupta, Manoj K

Anti-quorum sensing activity of α-amidoamides against Agrobacterium tumefaciensNT1: Insights from molecular docking and dynamic investigations to synergistic approach of metronidazole release from gel formulations.

Sebastian, Sharol; Rohila, Yajat; Ansari, Azaj; Sengupta, Sounok; Kumar, Deepak; Srivastava, Namita; Kumar, Lokender; Gupta, Manoj K.

Afiliação

Sebastian S; Department of Chemistry, School of Basic Sciences, Central University of Haryana, Mahendergarh, 123031, Haryana, India.
Rohila Y; Department of Chemistry, School of Basic Sciences, Central University of Haryana, Mahendergarh, 123031, Haryana, India.
Meenakshi; Department of Chemistry, School of Basic Sciences, Central University of Haryana, Mahendergarh, 123031, Haryana, India.
Ansari A; Department of Chemistry, School of Basic Sciences, Central University of Haryana, Mahendergarh, 123031, Haryana, India. Electronic address: ajaz.alam2@gmail.com.
Sengupta S; Department of Pharmaceutical Chemistry, School of Pharmaceutical Sciences, Shoolini University, Solan, 173229, Himachal Pradesh, India; Department of Pharmacology, School of Pharmaceutical Sciences, Shoolini University, Solan, 173229, Himachal Pradesh, India.
Kumar D; Department of Pharmaceutical Chemistry, School of Pharmaceutical Sciences, Shoolini University, Solan, 173229, Himachal Pradesh, India. Electronic address: guptadeepak002@gmail.com.
Srivastava N; Department of Biotechnology, Faculty of Applied Sciences and Biotechnology, Shoolini University, Solan, 173229, Himachal Pradesh, India.
Kumar L; Department of Biotechnology, Faculty of Applied Sciences and Biotechnology, Shoolini University, Solan, 173229, Himachal Pradesh, India; Cancer Biology Laboratory, Raj Khosla Centre for Cancer Research, Shoolini University, Solan, 173229, Himachal Pradesh, India.
Gupta MK; Department of Chemistry, School of Basic Sciences, Central University of Haryana, Mahendergarh, 123031, Haryana, India. Electronic address: mkgupta@cuh.ac.in.

Microb Pathog ; 193: 106787, 2024 Aug.

Article em En | MEDLINE | ID: mdl-38992510

Assuntos

Agrobacterium tumefaciens; Antibacterianos; Metronidazol; Simulação de Acoplamento Molecular; Simulação de Dinâmica Molecular; Percepção de Quorum; Agrobacterium tumefaciens/efeitos dos fármacos; Percepção de Quorum/efeitos dos fármacos; Metronidazol/farmacologia; Metronidazol/química; Antibacterianos/farmacologia; Antibacterianos/química; Testes de Sensibilidade Microbiana; Géis/química; Sinergismo Farmacológico; Liberação Controlada de Fármacos

Palavras-chave

Anti-quorum sensing; Drug synergism; MD simulation; MMGBSA; Molecular docking; pH-responsive drug release; α-Amidoamides

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Texto completo: 1 Base de dados: MEDLINE Assunto principal: Agrobacterium tumefaciens / Percepção de Quorum / Simulação de Dinâmica Molecular / Simulação de Acoplamento Molecular / Metronidazol / Antibacterianos Idioma: En Ano de publicação: 2024 Tipo de documento: Article

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