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
Database: MEDLINE Ultimate
Description
ISSN:1573-4951
DOI:10.1007/s10822-026-00851-0