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Journal of Biomolecular Structure and Dynamics Volume 41, 2023 - Issue 23
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Research Articles

Synthesis, spectral characterization of pyrazole derived Schiff base analogs: molecular dynamic simulation, antibacterial and DNA binding studies

Razia Sultanaa Molecular and Biophysical Research Laboratory, Department of Chemistry, Jamia Millia Islamia, New Delhi, IndiaView further author information
,
Asghar Alib Department of Biosciences, Jamia Millia Islamia, New Delhi, IndiaView further author information
,
Charmy Twalac Department of Life and Consumer Science, University of South Africa, Florida, South AfricaView further author information
,
Rabiya Mehandia Molecular and Biophysical Research Laboratory, Department of Chemistry, Jamia Millia Islamia, New Delhi, IndiaView further author information
,
Manish Ranaa Molecular and Biophysical Research Laboratory, Department of Chemistry, Jamia Millia Islamia, New Delhi, IndiaView further author information
,
Daraksha Yameend Department of Biotechnology, Jamia Millia Islamia, New Delhi, IndiaView further author information
,
Mohammad Abidb Department of Biosciences, Jamia Millia Islamia, New Delhi, IndiaORCID Iconhttps://orcid.org/0000-0002-0507-8451View further author information
ORCID Icon &
Rahisuddina Molecular and Biophysical Research Laboratory, Department of Chemistry, Jamia Millia Islamia, New Delhi, IndiaCorrespondence[email protected]
ORCID Iconhttps://orcid.org/0000-0002-7139-6976View further author information
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Pages 13724-13751 | Received 08 Sep 2022, Accepted 06 Feb 2023, Published online: 24 Feb 2023

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Mohammed Almaghrabi, Arafa Musa, Ahmed K. B. Aljohani, Hany E. A. Ahmed, Marwa Alsulaimany, Samar F. Miski, Ehab M. Mostafa, Shaimaa Hussein, Della Grace Thomas Parambi, Mohammed M. Ghoneim, Walid E. Elgammal, Ahmed H. Halawa, Ali Hammad & Ahmed M. El-Agrody. (2023) Introducing of novel class of pyrano[2,3-c]pyrazole-5-carbonitrile analogs with potent antimicrobial activity, DNA gyrase inhibition, and prominent pharmacokinetic and CNS toxicity profiles supported by molecular dynamic simulation. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-18.
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Iram Irfan, Asghar Ali, Ayesha Ubaid, Yeshfeen Sherwani, Bhoomika Arora, Md. Musawwer Khan, Mukesh C. Joshi & Mohammad Abid. (2023) Synergistic antimicrobial activity, MD simulation studies and crystal structure of natural alcohol motif containing novel substituted cinnamates. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-20.
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Manish Rana, Imran Ansari, Charmy Twala, Sumbul Khan, Anupam Mandal & Rahisuddin  . Novel dihydrobenzofuran derivatives: design, synthesis, cytotoxic activity, apoptosis, molecular modelling and DNA binding studies. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-19.
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Articles from other publishers (2)

Farhat Habib, Asghar Ali, Iram Irfan, Amir Azam, Mohammad Abid & Imran Ali. (2023) Synthesis of 1,2,4‐Oxadiazole‐sulfonamide Conjugates and Their Synergistic Effect with Ampicillin as Antimicrobial Agents. ChemistrySelect 8:45.
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Mohamed Adardour, Marouane Ait Lahcen, Mehdi Oubahmane, Walid Ettahiri, Ismail Hdoufane, Hafida Bouamama, Mohammed M. Alanazi, Driss Cherqaoui, Mustapha Taleb, Elena Zaballos Garcia & Abdesselam Baouid. (2023) Design, Synthesis, Molecular Modeling and Biological Evaluation of Novel Pyrazole Benzimidazolone Derivatives as Potent Antioxidants. Pharmaceuticals 16:12, pages 1648.
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