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Journal of Biomolecular Structure and Dynamics Volume 41, 2023 - Issue 21
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Research Articles

Identification of HER2 inhibitors from curcumin derivatives using combination of in silico screening and molecular dynamics simulation

Oluwatosin A. Saibua Department of Environmental Toxicology, Universitat Duisburg-Essen, North Rhine-Westphalia, GermanyCorrespondence[email protected]
ORCID Iconhttps://orcid.org/0000-0002-2337-5046View further author information
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Gagandeep Singhb Section of Microbiology, Central Ayurveda Research Institute, Jhansi, Uttar Pradesh, India;c Kusuma School of Biological Sciences, Indian Institute of Technology, Delhi, New Delhi, IndiaORCID Iconhttps://orcid.org/0000-0003-3070-2225View further author information
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Sunday A. Olugbodia Department of Environmental Toxicology, Universitat Duisburg-Essen, North Rhine-Westphalia, GermanyView further author information
,
Adenrele T. Oluwafemid Department of Biochemistry, Ladoke Akintola University of Technology, Ogbomoso, Oyo State, NigeriaView further author information
,
Temitope M. Ajayid Department of Biochemistry, Ladoke Akintola University of Technology, Ogbomoso, Oyo State, NigeriaView further author information
,
Sodiq O. Hammede Department of Physiology, Ladoke Akintola University of Technology, Ogbomoso, Oyo State, NigeriaView further author information
,
Oladapo O. Oladipoe Department of Physiology, Ladoke Akintola University of Technology, Ogbomoso, Oyo State, NigeriaView further author information
,
Tope T. Odunitand Department of Biochemistry, Ladoke Akintola University of Technology, Ogbomoso, Oyo State, NigeriaView further author information
&
Damilola A. Omoboyowaf Department of Biochemistry, Adekunle Ajasin University, Ondo State, NigeriaORCID Iconhttps://orcid.org/0000-0002-1740-9764View further author information
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Pages 12328-12337 | Received 07 Oct 2022, Accepted 01 Jan 2023, Published online: 08 Feb 2023

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Gagandeep Singh, Dhurgham Al-Fahad, Mrtatha K. Al-Zrkani, Tapan K. Chaudhuri, Hemant Soni, Smriti Tandon, Cheemalapati Venkata Narasimhaji, Faizul Azam & Rajesh Patil. (2023) Identification of potential inhibitors of HER2 targeting breast cancer—a structure-based drug design approach. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-18.
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Articles from other publishers (3)

Tope T. Odunitan, Oluwatosin A. Saibu, Boluwatife T. Apanisile, Damilola A. Omoboyowa, Toheeb A. Balogun, Adeyoola V. Awe, Temitope M. Ajayi, Grace V. Olagunju, Fatimah M. Mahmoud, Modinat Akinboade, Catherine B. Adeniji & Waliu O. Abdulazeez. (2024) Integrating biocomputational techniques for Breast cancer drug discovery via the HER-2, BCRA, VEGF and ER protein targets. Computers in Biology and Medicine 168, pages 107737.
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Oluwatosin A. Saibu, Gagandeep Singh, Damilola A. Omoboyowa, Adebimpe K Oyejoke, Sunday A. Olugbodi, Abayomi Bamisaye, Catherine B. Adeniji, Temitope M. Ajayi, Yetunde I. Akinpelu, Christianah A. Ogunwole, Osasenaga M. Ighodaro & Ann Christopher Francis. (2023) Discovery of putative natural compounds inhibitor of the germinant spore receptor CspC in Clostridioides difficile infection: Gaining insights via In silico and bioinformatics approach. Informatics in Medicine Unlocked 42, pages 101339.
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Damilola A. Omoboyowa, Damilola S. Bodun & Jamiyu A. Saliu. (2023) Structure-based in silico investigation of antagonists of human ribonucleotide reductase from Annona muricata. Informatics in Medicine Unlocked 38, pages 101225.
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