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Exploring Bakuchiol as an HSP90-Targeting Lead Against Triple-Negative Breast Cancer: Evidence from In Silico, In Vitro, and Synergy Studies.

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Title: Exploring Bakuchiol as an HSP90-Targeting Lead Against Triple-Negative Breast Cancer: Evidence from In Silico, In Vitro, and Synergy Studies.
Authors: Shah H; B. D. Patel Institute of Allied and Healthcare Sciences, Charotar University of Science and Technology, CHARUSAT Campus, Changa, Anand, Gujarat, 388421, India., Tripathi N; Ramanbhai Patel College of Pharmacy, Charotar University of Science and Technology, CHARUSAT Campus, Anand, Gujarat, 388421, India., Thakur D; Department of Environmental Carcinogenesis and Toxicology, Chittaranjan National Cancer Institute, 37, S P Mukherjee Road, Kolkata, 700026, India., Khamle AR; School of Biosciences and Bioengineering, D Y Patil International University, Akurdi, Pune, Maharashtra, India., Shah U; Ramanbhai Patel College of Pharmacy, Charotar University of Science and Technology, CHARUSAT Campus, Anand, Gujarat, 388421, India., Gupta PSS; School of Biosciences and Bioengineering, D Y Patil International University, Akurdi, Pune, Maharashtra, India., Jain S; Department of Pharmaceutical Engineering and Technology, Indian Institute of Technology, Banaras Hindu University, Varanasi, 221005, India., Shah P; Flamma USA LLC 383 Phoenixville Pike, Malvern, PA, USA., Mukherjee S; Department of Environmental Carcinogenesis and Toxicology, Chittaranjan National Cancer Institute, 37, S P Mukherjee Road, Kolkata, 700026, India., Kumar H; B. D. Patel Institute of Allied and Healthcare Sciences, Charotar University of Science and Technology, CHARUSAT Campus, Changa, Anand, Gujarat, 388421, India., Sarkar R; B. D. Patel Institute of Allied and Healthcare Sciences, Charotar University of Science and Technology, CHARUSAT Campus, Changa, Anand, Gujarat, 388421, India. rumasarkar.cips@charusat.ac.in.
Source: Journal of computer-aided molecular design [J Comput Aided Mol Des] 2026 Jun 23; Vol. 40 (1). Date of Electronic Publication: 2026 Jun 23.
Publication Type: Journal Article
Journal Info: Publisher: Springer Country of Publication: Netherlands NLM ID: 8710425 Publication Model: Electronic Cited Medium: Internet ISSN: 1573-4951 (Electronic) Linking ISSN: 0920654X NLM ISO Abbreviation: J Comput Aided Mol Des Subsets: MEDLINE
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  Data: Exploring Bakuchiol as an HSP90-Targeting Lead Against Triple-Negative Breast Cancer: Evidence from In Silico, In Vitro, and Synergy Studies.
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  Data: <searchLink fieldCode="AU" term="%22Shah+H%22">Shah H</searchLink>; B. D. Patel Institute of Allied and Healthcare Sciences, Charotar University of Science and Technology, CHARUSAT Campus, Changa, Anand, Gujarat, 388421, India.<br /><searchLink fieldCode="AU" term="%22Tripathi+N%22">Tripathi N</searchLink>; Ramanbhai Patel College of Pharmacy, Charotar University of Science and Technology, CHARUSAT Campus, Anand, Gujarat, 388421, India.<br /><searchLink fieldCode="AU" term="%22Thakur+D%22">Thakur D</searchLink>; Department of Environmental Carcinogenesis and Toxicology, Chittaranjan National Cancer Institute, 37, S P Mukherjee Road, Kolkata, 700026, India.<br /><searchLink fieldCode="AU" term="%22Khamle+AR%22">Khamle AR</searchLink>; School of Biosciences and Bioengineering, D Y Patil International University, Akurdi, Pune, Maharashtra, India.<br /><searchLink fieldCode="AU" term="%22Shah+U%22">Shah U</searchLink>; Ramanbhai Patel College of Pharmacy, Charotar University of Science and Technology, CHARUSAT Campus, Anand, Gujarat, 388421, India.<br /><searchLink fieldCode="AU" term="%22Gupta+PSS%22">Gupta PSS</searchLink>; School of Biosciences and Bioengineering, D Y Patil International University, Akurdi, Pune, Maharashtra, India.<br /><searchLink fieldCode="AU" term="%22Jain+S%22">Jain S</searchLink>; Department of Pharmaceutical Engineering and Technology, Indian Institute of Technology, Banaras Hindu University, Varanasi, 221005, India.<br /><searchLink fieldCode="AU" term="%22Shah+P%22">Shah P</searchLink>; Flamma USA LLC 383 Phoenixville Pike, Malvern, PA, USA.<br /><searchLink fieldCode="AU" term="%22Mukherjee+S%22">Mukherjee S</searchLink>; Department of Environmental Carcinogenesis and Toxicology, Chittaranjan National Cancer Institute, 37, S P Mukherjee Road, Kolkata, 700026, India.<br /><searchLink fieldCode="AU" term="%22Kumar+H%22">Kumar H</searchLink>; B. D. Patel Institute of Allied and Healthcare Sciences, Charotar University of Science and Technology, CHARUSAT Campus, Changa, Anand, Gujarat, 388421, India.<br /><searchLink fieldCode="AU" term="%22Sarkar+R%22">Sarkar R</searchLink>; B. D. Patel Institute of Allied and Healthcare Sciences, Charotar University of Science and Technology, CHARUSAT Campus, Changa, Anand, Gujarat, 388421, India. rumasarkar.cips@charusat.ac.in.
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  Data: <searchLink fieldCode="JN" term="%228710425%22">Journal of computer-aided molecular design</searchLink> [J Comput Aided Mol Des] 2026 Jun 23; Vol. 40 (1). <i>Date of Electronic Publication: </i>2026 Jun 23.
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  Data: <i>Publisher: </i><searchLink fieldCode="PB" term="%22Springer%22">Springer </searchLink><i>Country of Publication: </i>Netherlands <i>NLM ID: </i>8710425 <i>Publication Model: </i>Electronic <i>Cited Medium: </i>Internet <i>ISSN: </i>1573-4951 (Electronic) <i>Linking ISSN: </i><searchLink fieldCode="IS" term="%220920654X%22">0920654X </searchLink><i>NLM ISO Abbreviation: </i>J Comput Aided Mol Des <i>Subsets: </i>MEDLINE
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              Text: 2026 Jun 23
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