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Kashish Azeem, Mofieed Ahmed, Taj Mohammad, Amad Uddin, Anas Shamsi, Md. Imtaiyaz Hassan, Shailja Singh, Rajan Patel & Mohammad Abid. (2023) A multi-spectroscopic and computational simulations study to delineate the interaction between antimalarial drug hydroxychloroquine and human serum albumin. Journal of Biomolecular Structure and Dynamics 41:13, pages 6377-6393.
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Moyad Shahwan, Fahad A. Alhumaydhi, Sharaf E. Sharaf, Badrah S. Alghamdi, Saleh Baeesa, Haythum O. Tayeb, Ghulam Md Ashraf & Anas Shamsi. (2023) Computational insight into the binding of bryostatin 1 with ferritin: implication of natural compounds in Alzheimer’s disease therapeutics. Journal of Biomolecular Structure and Dynamics 41:12, pages 5635-5645.
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Anas Shamsi, Taj Mohammad, Saleha Anwar, Khalida Nasreen, Md. Imtaiyaz Hassan, Faizan Ahmad & Asimul Islam. (2022) Insight into the binding of PEG-400 with eye protein alpha-crystallin: Multi spectroscopic and computational approach: possible therapeutics targeting eye diseases. Journal of Biomolecular Structure and Dynamics 40:10, pages 4496-4506.
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Zhe Jin, Chao Zhang, Miao Liu, Simeng Jiao, Jing Zhao, Xiaoping Liu, Huangquan Lin, David Chi-cheong Wan & Chun Hu. (2021) Synthesis, biological activity, molecular docking studies of a novel series of 3-Aryl-7H-thiazolo[3,2-b]-1,2,4-triazin-7-one derivatives as the acetylcholinesterase inhibitors. Journal of Biomolecular Structure and Dynamics 39:7, pages 2478-2489.
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Satvik Kotha, Swapna B.Vithal M. Kulkarni, Ramachandra Setty S.Harish Kumar B.Harisha R.. (2021) An in-silico approach: identification of PPAR-γ agonists from seaweeds for the management of Alzheimer’s Disease. Journal of Biomolecular Structure and Dynamics 39:6, pages 2210-2229.
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Sarfraz Ahmed, Parvez Khan, Iram Irfan, Saleha Anwar, Anas Shamsi, Bhoomika Arora, Manzar Alam, Md. Imtaiyaz Hassan & Mohammad Abid. (2023) Structure-guided design and development of vanillin-triazole conjugates as potential MARK4 inhibitors targeting hepatocellular carcinoma. Journal of Molecular Structure 1293, pages 136303.
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Anas Shamsi, Mohammad Furkan, Rizwan Hasan Khan, Mohd Shahnawaz Khan, Moyad Shahwan & Dharmendra Kumar Yadav. (2023) Comprehensive insight into the molecular interaction of rutin with human transferrin: Implication of natural compounds in neurodegenerative diseases. International Journal of Biological Macromolecules 253, pages 126643.
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Tanzeel Khan, Rashid Waseem, Mohammad Shahid, Jaoud Ansari, Ishfaq Ahmad Ahanger, Imtaiyaz Hassan & Asimul Islam. (2023) Recent advancement in therapeutic strategies for Alzheimer’s disease: Insights from clinical trials. Ageing Research Reviews 92, pages 102113.
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Moyad Shahwan, Saleha Anwar, Dharmendra Kumar Yadav, Mohd Shahnawaz Khan & Anas Shamsi. (2023) Experimental and Computational Insights into the Molecular Interactions between Human Transferrin and Apigenin: Implications of Natural Compounds in Targeting Neuroinflammation. ACS Omega.
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Niloufar Shakibapour, Ahmad Asoodeh, Mohammad Reza Saberi & Jamshidkhan Chamani. (2023) Investigating the binding mechanism of temporin Rb with human serum albumin, holo transferrin, and hemoglobin using spectroscopic and molecular dynamics techniques. Journal of Molecular Liquids 389, pages 122833.
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Mingyuan Li, Jing Kong, Yanrong Chen, Yutong Li, Hongzhuan Xuan, Min Liu, Qian Zhang & Jie Liu. (2023) Comparative interaction study of soy protein isolate and three flavonoids (Chrysin, Apigenin and Luteolin) and their potential as natural preservatives. Food Chemistry 414, pages 135738.
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Xiangrong Li, Linyu Han, Zhizhi Song, Ruonan Xu & Lixia Wang. (2023) Comparative study on the interaction between transferrin and flavonols: Experimental and computational modeling approaches. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 288, pages 122128.
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Seerat Siraj, Daraksha Yameen, Anas Shamsi, Faizya Khan, Asimul Islam & Mohammad Mahfuzul Haque. (2023) Interaction of Thioflavin T (ThT) and 8-anilino-1-naphthalene sulfonic acid (ANS) with macromolecular crowding agents and their monomers: Biophysical analysis using in vitro and computational approaches. Journal of Molecular Liquids 374, pages 121270.
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Mohammed Alrouji, Debarati DasGupta, Ghulam Md. Ashraf, Anwar L. Bilgrami, Fahad A. Alhumaydhi, Waleed Al Abdulmonem, Moyad Shahwan, Abdulrhman Alsayari, Akhtar Atiya & Anas Shamsi. (2023) Inhibition of microtubule affinity regulating kinase 4 by an acetylcholinesterase inhibitor, Huperzine A: Computational and experimental approaches. International Journal of Biological Macromolecules, pages 123831.
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Ziaul Hasan, Asimul Islam & Luqman Ahmad Khan. (2023) Spectroscopic investigations on fungal aspartic protease as target of gallic acid. International Journal of Biological Macromolecules 228, pages 333-345.
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Ahlam I. Al-Sulami, Maram T. Basha, Hanan S. Althagafy, Khadijah M. Al-Zaydi, Bambar Davaasuren, Nadia S. Al-Kaff & Musa A. Said. (2022) Azo-based multifunctional molecules and their copper(II) complexes as potential inhibitors against Alzheimer’s disease: XRD/Hirshfeld analysis/DFT/molecular docking/cytotoxicity. Inorganic Chemistry Communications 142, pages 109535.
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Alexander V. Blagov, Andrey V. Grechko, Nikita G. Nikiforov, Evgeny E. Borisov, Nikolay K. Sadykhov & Alexander N. Orekhov. (2022) Role of Impaired Mitochondrial Dynamics Processes in the Pathogenesis of Alzheimer’s Disease. International Journal of Molecular Sciences 23:13, pages 6954.
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Rashid Waseem, Anas Shamsi, Tanzeel Khan, Md. Imtaiyaz Hassan, Syed Naqui Kazim, Mohammad Shahid & Asimul Islam. (2022) Unraveling the Binding Mechanism of Alzheimer’s Drugs with Irisin: Spectroscopic, Calorimetric, and Computational Approaches. International Journal of Molecular Sciences 23:11, pages 5965.
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Shuqin Li, Nannan Li, Yajie Wang, Qirou Wang, Ruilin Li, Min Zhang, Pharkphoom Panichayupakaranant, Yan Gao & Haixia Chen. (2022) Structural, functional and proteomic differences of proteins extracted from white garlic and Laba garlic. Food Research International 155, pages 111047.
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Andrea González, Sandeep Kumar Singh, Macarena Churruca & Ricardo B. Maccioni. (2022) Alzheimer’s Disease and Tau Self-Assembly: In the Search of the Missing Link. International Journal of Molecular Sciences 23:8, pages 4192.
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Seyedeh-Zohreh Vahedi, Sadegh Farhadian, Behzad Shareghi, Sanaz Asgharzadeh & Mina Evini. (2022) Multi spectroscopy and molecular modeling aspects related to drug interaction of aspirin with alpha chymotrypsin; structural change and protease activity. Journal of Molecular Liquids 352, pages 118698.
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S. Malini, Kalyan Raj, N. Suresha & K. S. Anantharaju. (2021) Donepezil oxidation: complementary chemical and spectroscopic exploration of products, mechanism and kinetics. Chemical Papers 76:3, pages 1457-1470.
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Lijuan Wang, Lei Zhao, Wenmei Zhang, Yuanyuan Wu, Yingqi Liang, Guangsheng Guo & Xiayan Wang. (2022) Investigation of metformin hydrochloride–bovine serum albumin interaction by narrow-bore capillary zone electrophoresis. Chemical Communications 58:17, pages 2926-2929.
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Mohd Yousuf, Anas Shamsi, Farah Anjum, Alaa Shafie, Asimul Islam, Qazi Mohd Rizwanul Haque, Abdelbaset Mohamed Elasbali, Dharmendra Kumar Yadav & Md. Imtaiyaz Hassan. (2022) Effect of pH on the structure and function of cyclin-dependent kinase 6. PLOS ONE 17:2, pages e0263693.
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Saleha Anwar, Shama Khan, Farah Anjum, Anas Shamsi, Parvez Khan, Hera Fatima, Alaa Shafie, Asimul Islam & Md. Imtaiyaz Hassan. (2021) Myricetin inhibits breast and lung cancer cells proliferation via inhibiting MARK4. Journal of Cellular Biochemistry 123:2, pages 359-374.
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Anas Shamsi, Moyad Shahwan, Mohd Shahnawaz Khan, Fahad A. Alhumaydhi, Suliman A. Alsagaby, Waleed Al Abdulmonem, Bekhzod Abdullaev & Dharmendra Kumar Yadav. (2022) Mechanistic Insight into Binding of Huperzine A with Human Serum Albumin: Computational and Spectroscopic Approaches. Molecules 27:3, pages 797.
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Mohcine Missioui, Musa A. Said, Güneş Demirtaş, Joel T. Mague & Youssef Ramli. (2022) Docking of disordered independent molecules of novel crystal structure of (N-(4-methoxyphenyl)-2-(3-methyl-2-oxo-3,4-dihydroquinoxalin-1(2H)-yl)acetamide as anti-COVID-19 and anti-Alzheimer's disease. Crystal structure, HSA/DFT/XRD. Journal of Molecular Structure 1247, pages 131420.
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Rashid Waseem, Saleha Anwar, Shama Khan, Anas Shamsi, Md. Imtaiyaz Hassan, Farah Anjum, Alaa Shafie, Asimul Islam & Dharmendra Kumar Yadav. (2021) MAP/Microtubule Affinity Regulating Kinase 4 Inhibitory Potential of Irisin: A New Therapeutic Strategy to Combat Cancer and Alzheimer’s Disease. International Journal of Molecular Sciences 22:20, pages 10986.
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Ahmed Boshaala, Musa A. Said, Eman A. Assirey, Zainab S. Alborki, Abeer A. AlObaid, Abdelkader Zarrouk & Ismail Warad. (2021) Crystal structure, MEP/DFT/XRD, thione ⇔ thiol tautomerization, thermal, docking, and optical/TD-DFT studies of (E)-methyl 2-(1-phenylethylidene)-hydrazinecarbodithioate ligand. Journal of Molecular Structure 1238, pages 130461.
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Ashutosh Singh, Ankur Kumar, Prateek Kumar, Namyashree Nayak, Taniya Bhardwaj, Rajanish Giri & Neha Garg. (2021) A novel inhibitor L755507 efficiently blocks c-Myc–MAX heterodimerization and induces apoptosis in cancer cells. Journal of Biological Chemistry 297:1, pages 100903.
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Rashid Waseem, Anas Shamsi, Taj Mohammad, Fahad A. Alhumaydhi, Syed Naqui Kazim, Md. Imtaiyaz Hassan, Faizan Ahmad & Asimul Islam. (2021) Multispectroscopic and Molecular Docking Insight into Elucidating the Interaction of Irisin with Rivastigmine Tartrate: A Combinational Therapy Approach to Fight Alzheimer’s Disease. ACS Omega 6:11, pages 7910-7921.
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Yaohui You, Liu Yang, Hong Chen, Linying Xiong & Fan Yang. (2021) Effects of (−)-Epigallocatechin-3-gallate on the Functional and Structural Properties of Soybean Protein Isolate. Journal of Agricultural and Food Chemistry 69:7, pages 2306-2315.
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Assia Meziane, Amina Ghomri, Salim Bouchentouf & Mohamed El-Shazly. (2021) Theoretical Investigation of Some Donepezil-based Derivatives as Dual Inhibitors for beta-Amyloid- and Cholinesterase Enzymes. Journal Of Biochemical Technology 12:2, pages 48-61.
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Neha Raina, Amit Kumar Singh, Md. Imtaiyaz Hassan, Faizan Ahmad & Asimul Islam. (2020) Concentration dependent effect of ethylene glycol on the structure and stability of holo α-lactalbumin: Characterization of intermediate state amidst soft interactions. International Journal of Biological Macromolecules 164, pages 2151-2161.
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Anas Shamsi, Saleha Anwar, Mohd Shahbaaz, Taj Mohammad, Mohamed F. Alajmi, Afzal Hussain, Imtaiyaz Hassan, Faizan Ahmad & Asimul Islam. (2020) Evaluation of Binding of Rosmarinic Acid with Human Transferrin and Its Impact on the Protein Structure: Targeting Polyphenolic Acid-Induced Protection of Neurodegenerative Disorders. Oxidative Medicine and Cellular Longevity 2020, pages 1-14.
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Mohd Yousuf, Parvez Khan, Anas Shamsi, Mohd Shahbaaz, Gulam Mustafa Hasan, Qazi Mohd Rizwanul Haque, Alan Christoffels, Asimul Islam & Md. Imtaiyaz Hassan. (2020) Inhibiting CDK6 Activity by Quercetin Is an Attractive Strategy for Cancer Therapy. ACS Omega 5:42, pages 27480-27491.
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Tanveer A. Wani, Nawaf Alsaif, Ahmed H. Bakheit, Seema Zargar, Abdurrahman A. Al-Mehizia & Azmat Ali Khan. (2020) Interaction of an abiraterone with calf thymus DNA: Investigation with spectroscopic technique and modelling studies. Bioorganic Chemistry 100, pages 103957.
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Anas Shamsi, Saleha Anwar, Taj Mohammad, Mohamed F. Alajmi, Afzal Hussain, Md. Tabish Rehman, Gulam Mustafa Hasan, Asimul Islam & Md. Imtaiyaz Hassan. (2020) MARK4 Inhibited by AChE Inhibitors, Donepezil and Rivastigmine Tartrate: Insights into Alzheimer’s Disease Therapy. Biomolecules 10:5, pages 789.
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Mohd Yousuf, Anas Shamsi, Parvez Khan, Mohd Shahbaaz, Mohamed F. AlAjmi, Afzal Hussain, Gulam Mustafa Hassan, Asimul Islam, Qazi Mohd Rizwanul Haque & Md. Imtaiyaz Hassan. (2020) Ellagic Acid Controls Cell Proliferation and Induces Apoptosis in Breast Cancer Cells via Inhibition of Cyclin-Dependent Kinase 6. International Journal of Molecular Sciences 21:10, pages 3526.
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Saleha Anwar, Rajiv K. Kar, Md. Anzarul Haque, Rashmi Dahiya, Preeti Gupta, Asimul Islam, Faizan Ahmad & Md. Imtaiyaz Hassan. (2020) Effect of pH on the structure and function of pyruvate dehydrogenase kinase 3: Combined spectroscopic and MD simulation studies. International Journal of Biological Macromolecules 147, pages 768-777.
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Syed Saqib Ali, Mohammad Khalid Zia, Tooba Siddiqui, Haseeb Ahsan & Fahim Halim Khan. (2020) Influence of Ascorbic Acid on the Structure and Function of Alpha-2- macroglobulin: Investigations using Spectroscopic and Thermodynamic Techniques. Protein & Peptide Letters 27:3, pages 201-209.
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Hua-xin Zhang, Qing-hua Xia & Dan Zhou. (2020) Effect of carbamylation on the molecular recognition action of amino benzothiazole by carrier protein. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 227, pages 117595.
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Zhisheng Zhou, Xing Hu, Xinyue Hong, Jie Zheng, Xia Liu, Deming Gong & Guowen Zhang. (2020) Interaction characterization of 5−hydroxymethyl−2−furaldehyde with human serum albumin: Binding characteristics, conformational change and mechanism. Journal of Molecular Liquids 297, pages 111835.
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