Unveiling the inhibitory mechanism of aureusidin targeting xanthine oxidase by multi-spectroscopic methods and molecular simulations

Pei He, Haiqi Xu, Can Yang, Dehong Yu, Yi Liu, Jiana Du and Yanfang Li

RSC Adv., 2023, 13, 1606
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Polypharmacology of andrographolide: beyond one molecule one target

Quy T. N. Tran, W. S. Daniel Tan, W. S. Fred Wong and Christina L. L. Chai

Nat. Prod. Rep., 2021, 38, 682
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Combined spectroscopy methods and molecular simulations for the binding properties of trametinib to human serum albumin

Zili Suo, Qiaomei Sun, Hongqin Yang, Peixiao Tang, Ruixue Gan, Xinnuo Xiong and Hui Li

RSC Adv., 2018, 8, 4742
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Synthesis of two novel pyrazolo[1,5-a]pyrimidine compounds with antibacterial activity and biophysical insights into their interactions with plasma protein

Ling-Ling He, Qi Qi, Xin Wang, Yu Li, Yao Zhu, Xiao-Fang Wang and Liang Xu

Bioorganic Chemistry, 2020, 99, 103833
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A potential anticancer dihydropyrimidine derivative and its protein binding mechanism by multispectroscopic, molecular docking and molecular dynamic simulation along with its in-silico toxicity and metabolic profile

Tanveer A. Wani, Nawaf Alsaif, Mohammed M. Alanazi, Ahmed H. Bakheit, Seema Zargar and Mashooq A. Bhat

European Journal of Pharmaceutical Sciences, 2021, 158, 105686
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Binding of Sunset Yellow, a food coloring, to human carbonic anhydrase II: Structural and functional insights from a multi-spectroscopic study

Faezeh Hasrati, Sirous Ghobadi and Zohreh Shariati

Chemico-Biological Interactions, 2025, 421, 111746
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Elucidating the active interaction mechanism of phytochemicals withanolide and withanoside derivatives with human serum albumin

Shreya Dubey, Monika Kallubai, Arijit Sarkar, Rajagopal Subramanyam and Durai Sundar

PLoS ONE, 2018, 13, e0200053
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Exploring the effect of 5-Fluorouracil on conformation, stability and activity of lysozyme by combined approach of spectroscopic and theoretical studies

Sabera Millan, Lakkoji Satish, Krishnendu Bera, Monidipa Konar and Harekrushna Sahoo

Journal of Photochemistry and Photobiology B: Biology, 2018, 179, 23
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Molecular basis of trypsin's autolysis resistance acetylation for sustained enzymatic activity

Xiaozhan Qu, Tengfei Liu, Yalong Xu, Chen Wang, Xueao Zheng, Yixiao Zhang, Peijian Cao and Qiansi Chen

Food Chemistry: X, 2026, 34, 103619
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Anticancer potential of andrographolide from Andrographis paniculata (Burm.f.) Nees and its mechanisms of action

Zoya Malik, Rabea Parveen, Bushra Parveen, Sultan Zahiruddin, Mohammad Aasif Khan, Asifa Khan, Sheersh Massey, Sayeed Ahmad and Syed Akhtar Husain

Journal of Ethnopharmacology, 2021, 272, 113936
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Investigation of the interaction between Chrysoeriol and xanthine oxidase using computational and in vitro approaches

Yan Liu, Chenggang Han, Tao Lu, Yi Liu, Hao Chen, Can Yang, Yanbei Tu and Yanfang Li

International Journal of Biological Macromolecules, 2021, 190, 463
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Toxicity Study and Binding Analysis of Newly Synthesized Antifungal N-(4-aryl/cyclohexyl)-2-(pyridine-4-yl carbonyl) hydrazinecarbothioamide Derivative with Bovine Serum Albumin

Tanveer A. Wani, Ahmed H. Bakheit, Seema Zargar, Nojood Altwaijry, Mashooq Ahmad Bhat, Hamad M. Alkahtani and Lamees S. Al-Rasheed

IJMS, 2023, 24, 4942
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Multi-Spectroscopic Characterization of Human Serum Albumin Binding with Cyclobenzaprine Hydrochloride: Insights from Biophysical and In Silico Approaches

Mohammad Hassan Baig, Safikur Rahman, Gulam Rabbani, Mohd Imran, Khurshid Ahmad and Inho Choi

IJMS, 2019, 20, 662
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Binding Interaction of Juglone with Lysozyme: Spectroscopic Studies Aided by In Silico Calculations

Saumen Saha and Joydeep Chowdhury

Journal of Photochemistry and Photobiology B: Biology, 2019, 193, 89
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Recent Updates on Interaction Studies and Drug Delivery of Antimalarials with Serum Albumin Proteins

Kashish Azeem, Iram Irfan, Qudsia Rashid, Shailja Singh, Rajan Patel and Mohammad Abid

CMC, 2024, 31, 3925
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In vitro technology and ADMET research in traditional Chinese medicine

Jinhao Xue, Shiwen Gao, Zhibo You, Shuo Xu, Jiang Zhou, Hai Jiang and Liu Yang

Front. Pharmacol., 2025, 16
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In Vitro Cytotoxicity and Interaction of Noscapine with Human Serum Albumin: Effect on Structure and Esterase Activity of HSA

Neha Maurya, Jitendra Kumar Maurya, Upendra Kumar Singh, Ravins Dohare, Md Zafaryab, M. Moshahid Alam Rizvi, Meena Kumari and Rajan Patel

Mol. Pharmaceutics, 2019, 16, 952
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Biophysical and molecular modelling analysis of the binding of β-resorcylic acid with bovine serum albumin

Irfan Hussain, Sana Fatima, Shahbaz Ahmed and Mohammad Tabish

Food Hydrocolloids, 2023, 135, 108175
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Probing the Interaction of Selonsertib with Human Serum Albumin: In silico and In vitro Approaches

Mohammad Hassan Baig, Preeti Gupta, Mohd. Imran Khan, Mohamed F. Alajmi, Afzal Hussain, Md. Imtaiyaz Hassan and Jae-June Dong

CTMC, 2022, 22, 879
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Unraveling the Stability of Plasma Proteins upon Interaction of Synthesized Androstenedione and Its Derivatives—A Biophysical and Computational Approach

Aparna Nerusu, P. Srinivasa Reddy, Dhevalapally B. Ramachary and Rajagopal Subramanyam

ACS Omega, 2017, 2, 6514
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Improving the inhibition of β-amyloid aggregation by withanolide and withanoside derivatives

Shreya Dubey, Monika Kallubai and Rajagopal Subramanyam

International Journal of Biological Macromolecules, 2021, 173, 56
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Biophysical insights into the interaction of clofazimine with human alpha 1-acid glycoprotein: a multitechnique approach

Mohammad Rehan Ajmal, Fahad Almutairi, Nida Zaidi, Parvez Alam, Mohammad Khursheed Siddiqi, Mohsin Vahid Khan, Masihuz Zaman, Mohd Ishtikhar and Rizwan Hasan Khan

Journal of Biomolecular Structure and Dynamics, 2019, 37, 1390
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An insight into the pharmacological and analytical potential of Andrographolide

Pallavi Agrawal and Maya S. Nair

Fundamemntal Clinical Pharma, 2022, 36, 586
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Binding and drug displacement study of colchicine and bovine serum albumin in presence of azithromycin using multispectroscopic techniques and molecular dynamic simulation

Tanveer A. Wani, Ahmed H. Bakheit, Abdulrahman A. Al-Majed, Nojood Altwaijry, Anwar Baquaysh, Ashwaq Aljuraisy and Seema Zargar

Journal of Molecular Liquids, 2021, 333, 115934
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Andrographolide: A review of its pharmacology, pharmacokinetics, toxicity and clinical trials and pharmaceutical researches

Bin Zeng, Ailing Wei, Qiang Zhou, Minghao Yuan, Kelu Lei, Yushi Liu, Jiawen Song, Li Guo and Qiang Ye

Phytotherapy Research, 2022, 36, 336
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Novel wine in an old bottle: Preventive and therapeutic potentials of andrographolide in atherosclerotic cardiovascular diseases

Tingting Gou, Minghao Hu, Min Xu, Yuchen Chen, Rong Chen, Tao Zhou, Junjing Liu, Li Guo, Hui Ao and Qiang Ye

Journal of Pharmaceutical Analysis, 2023, 13, 563
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Reactive oxygen species generation and human serum albumin damage induced by the combined effects of ultrasonic irradiation and brilliant cresyl blue

Xin Wang, Ling-Ling He, Bin Liu, Xiao-Fang Wang, Liang Xu and Ting Sun

International Journal of Biological Macromolecules, 2018, 120, 1865
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Irinotecan binds to the internal cavity of beta-lactoglobulin: A multi-spectroscopic and computational investigation

N. Bijari, S. Ghobadi and K. Derakhshandeh

Journal of Pharmaceutical and Biomedical Analysis, 2017, 139, 109
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Decrease of the affinity of theophylline bind to serum proteins induced by flavonoids and their synergies on protein conformation

Xin Wang, Ling-Ling He, Bin Liu, Xin Wang, Liang Xu, Xiao-Fang Wang and Ting Sun

International Journal of Biological Macromolecules, 2018, 107, 1066
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Interaction of repaglinide with bovine serum albumin: Spectroscopic and molecular docking approaches

Suma K. Pawar and Seetharamappa Jaldappagari

Journal of Pharmaceutical Analysis, 2019, 9, 274
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The interaction of sodium dodecyl sulfate with trypsin: Multi-spectroscopic analysis, molecular docking, and molecular dynamics simulation

Haichuan Ma, Ting Zou, He Li and Haiming Cheng

International Journal of Biological Macromolecules, 2020, 162, 1546
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Liquisolid powders of Andrographis paniculata extract: physicochemical attributes, dissolution, oral bioavailability, stability, and acute toxicity

Peera Tabboon, Ekapol Limpongsa, Rarinthorn Samrid, Supawan Wechprakhon, Jidapa Niyommoh and Napaphak Jaipakdee

J. Pharm. Investig., 2026
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Insight of the Interaction between 2,4-thiazolidinedione and Human Serum Albumin: A Spectroscopic, Thermodynamic and Molecular Docking Study

Safikur Rahman, Md Tabish Rehman, Gulam Rabbani, Parvez Khan, Mohamed F AlAjmi, Md. Imtaiyaz Hassan, Ghazala Muteeb and Jihoe Kim

IJMS, 2019, 20, 2727
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Effective suppression of the modified PHF6 peptide/1N4R Tau amyloid aggregation by intact curcumin, not its degradation products: Another evidence for the pigment as preventive/therapeutic “functional food”

Nooshin Bijari, Saeed Balalaie, Vali Akbari, Farhad Golmohammadi, Sajad Moradi, Hadi Adibi and Reza Khodarahmi

International Journal of Biological Macromolecules, 2018, 120, 1009
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Molecular dynamics and spectral analysis for the binding of methoxylated polybrominated diphenyl ethers to lysozyme

Yuefan Rui, Yanqiu Zuo, Lulu Yang, Jie Xu, Yuchen Wei and Zhongsheng Yi

Journal of Molecular Structure, 2021, 1226, 129329
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A molecular simulation and spectroscopic approach to the binding affinity between trypsin and 2-propanol and protein conformation

Lida Momeni, Behzad Shareghi, Sadegh Farhadian, Samira Vaziri, Ali Akbar Saboury and Fateme Raisi

International Journal of Biological Macromolecules, 2018, 119, 477
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Multi-spectroscopic investigation, molecular docking and molecular dynamic simulation of competitive interactions between flavonoids (quercetin and rutin) and sorafenib for binding to human serum albumin

Nawaf A. Alsaif, Tanveer A. Wani, Ahmed H. Bakheit and Seema Zargar

International Journal of Biological Macromolecules, 2020, 165, 2451
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Study on the interaction of ethylene glycol with trypsin: Binding ability, activity, and stability

Lida Momeni, Sadegh Farhadian and Behzad Shareghi

Journal of Molecular Liquids, 2022, 350, 118542
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Potential of diterpenoid andrographolide in COVID-19 therapy: an insight on its antiviral-, immunomodulatory-, anti-inflammatory-, antioxidant- and antithrombotic- properties

Biswanath Dinda, Manikarna Dinda, Subhajit Dinda and Bishu Karmakar

Phytomedicine Plus, 2025, 5, 100850
DOI: 10.1016/j.phyplu.2025.100850