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Citations (56)
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Annu Verma, Ritu Jakhar, Dev Kumar, Vijay Kumar, Twinkle Dhillon, Mehak Dangi & Anil Kumar Chhillar. (2023) A computational approach to discover antioxidant and anti-inflammatory attributes of silymarin derived from Silybum marianum by comparison with hydroxytyrosol. Journal of Biomolecular Structure and Dynamics 41:20, pages 11101-11121.
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Md. Imtaiyaz Hassan, Darakshan Anjum, Taj Mohammad, Manzar Alam, Mohd Shahnawaz Khan, Moyad Shahwan, Anas Shamsi & Dharmendra Kumar Yadav. (2023) Integrated virtual screening and MD simulation study to discover potential inhibitors of Lyn-kinase: targeting cancer therapy. Journal of Biomolecular Structure and Dynamics 41:20, pages 10558-10568.
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Pallabi Banerjee, Anshuman Chandra, Taj Mohammad, Nagendra Singh, Md. Imtaiyaz Hassan & Imteyaz Qamar. (2023) Identification of high-affinity pyridoxal kinase inhibitors targeting cancer therapy: an integrated docking and molecular dynamics simulation approach. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-18.
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Rex Devasahayam Arokia Balaya, Jaikanth Chandrasekaran, Saptami Kanekar, Prashant Kumar Modi, Shobha Dagamajalu, Kirthika Gopinathan, Rajesh Raju & T. S. Keshava Prasad. (2023) Calcium/calmodulin-dependent protein kinase kinase 2 (CAMKK2) inhibitors: a novel approach in small molecule discovery. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-11.
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Abhishek Kumar Verma, Sk. Faisal Ahmed, Md.Shahadat Hossain, Ali Asger Bhojiya, Sudhir K. Upadhyay, Abhishek K. Srivastava, Nripendra Singh, Harina Harina, Md. Mizanur Rahaman & Newaz Mohammed Bahadur. (2022) Unlocking SGK1 inhibitor potential of bis-[1-N,7-N, pyrazolo tetraethoxyphthalimido{-4-(3,5-Dimethyl-4-(spiro-3-methylpyazolo)-1,7-dihydro-1H-dipyrazolo[3,4-b;4',3'-e]pyridin-8-yl)}]p-disubstituted phenyl compounds: a computational study. Journal of Biomolecular Structure and Dynamics 40:24, pages 13412-13431.
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Asifa Khan, Taj Mohammad, Anas Shamsi, Afzal Hussain, Mohamed F. Alajmi, Syed Akhtar Husain, Mohammad Askandar Iqbal & Md. Imtaiyaz Hassan. (2022) Identification of plant-based hexokinase 2 inhibitors: combined molecular docking and dynamics simulation studies. Journal of Biomolecular Structure and Dynamics 40:20, pages 10319-10331.
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Sonam Roy, Shama Khan, Deeba Shamim Jairajpuri, Afzal Hussain, Mohamed F. Alajmi, Asimul Islam, Suaib Luqman, Suhel Parvez & Md. Imtaiyaz Hassan. (2022) Investigation of sphingosine kinase 1 inhibitory potential of cinchonine and colcemid targeting anticancer therapy. Journal of Biomolecular Structure and Dynamics 40:14, pages 6350-6362.
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Shama Khan, Zeynab Fakhar, Afzal Hussain, Aijaz Ahmad, Deeba Shamim Jairajpuri, Mohamed F. Alajmi & Md. Imtaiyaz Hassan. (2022) Structure-based identification of potential SARS-CoV-2 main protease inhibitors. Journal of Biomolecular Structure and Dynamics 40:8, pages 3595-3608.
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Mohd. Amir, Shahzaib Ahamad, Taj Mohammad, Deeba Shamim Jairajpuri, Gulam Mustafa Hasan, Ravins Dohare, Asimul Islam, Faizan Ahmad & Md. Imtaiyaz Hassan. (2021) Investigation of conformational dynamics of Tyr89Cys mutation in protection of telomeres 1 gene associated with familial melanoma. Journal of Biomolecular Structure and Dynamics 39:1, pages 35-44.
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Mohd Amir, Taj Mohammad, Kartikay Prasad, Gulam Mustafa Hasan, Vijay Kumar, Ravins Dohare, Asimul Islam, Faizan Ahmad & Md. Imtaiyaz Hassan. (2020) Virtual high-throughput screening of natural compounds in-search of potential inhibitors for protection of telomeres 1 (POT1). Journal of Biomolecular Structure and Dynamics 38:15, pages 4625-4634.
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Saman Fatima, Taj Mohammad, Deeba Shamim Jairajpuri, Md Tabish Rehman, Afzal Hussain, Mohammed Samim, Farhan Jalees Ahmad, Mohammed F. Alajmi & Md. Imtaiyaz Hassan. (2020) Identification and evaluation of glutathione conjugate gamma-l-glutamyl-l-cysteine for improved drug delivery to the brain. Journal of Biomolecular Structure and Dynamics 38:12, pages 3610-3620.
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Nisha A. Jonniya & Parimal Kar. (2020) Investigating specificity of the anti-hypertensive inhibitor WNK463 against With-No-Lysine kinase family isoforms via multiscale simulations. Journal of Biomolecular Structure and Dynamics 38:5, pages 1306-1321.
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Om Prakash & Upendra Nath Dwivedi. (2020) Identification of repurposed protein kinase B binders from FDA-approved drug library: a hybrid–structure activity relationship and systems modeling based approach. Journal of Biomolecular Structure and Dynamics 38:3, pages 660-672.
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Faez Iqbal Khan, Dakun Lai, Razique Anwer, Iffat Azim & Mohd Kalim Ahmad Khan. (2020) Identifying novel sphingosine kinase 1 inhibitors as therapeutics against breast cancer. Journal of Enzyme Inhibition and Medicinal Chemistry 35:1, pages 172-186.
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Mehak Gulzar, Shahid Ali, Faez Iqbal Khan, Parvez Khan, Pankaj Taneja & Md. Imtaiyaz Hassan. (2019) Binding mechanism of caffeic acid and simvastatin to the integrin linked kinase for therapeutic implications: a comparative docking and MD simulation studies. Journal of Biomolecular Structure and Dynamics 37:16, pages 4327-4337.
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Shahid Ali, Faez Iqbal Khan, Wenwen Chen, Abdul Rahaman & Yonghua Wang. (2018) Open and closed states of Mrlip1 DAG lipase revealed by molecular dynamics simulation. Molecular Simulation 44:18, pages 1520-1528.
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Articles from other publishers (40)
Manzar Alam, Sarfraz Ahmed, Mohammad Abid, Gulam Mustafa Hasan, Asimul Islam & Md. Imtaiyaz Hassan. (2023) Therapeutic targeting of microtubule affinity‐regulating kinase 4 in cancer and neurodegenerative diseases. Journal of Cellular Biochemistry.
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Manzar Alam, Summya Rashid, Kisa Fatima, Mohd Adnan, Alaa Shafie, Mohammad Salman Akhtar, A.H. Ganie, Sayed M. Eldin, Asimul Islam, Ilyas Khan & Md. Imtaiyaz Hassan. (2023) Biochemical features and therapeutic potential of α-Mangostin: Mechanism of action, medicinal values, and health benefits. Biomedicine & Pharmacotherapy 163, pages 114710.
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Abdulhakeem Olarewaju Sulyman, Oluwapelumi Oluwaseun Aje, Emmanuel Oladipo Ajani, Rukayat Abiola Abdulsalam, Fatai Oladunni Balogun & Saheed Sabiu. (2023) Bioprospection of Selected Plant Secondary Metabolites as Modulators of the Proteolytic Activity of Plasmodium falciparum Plasmepsin V. BioMed Research International 2023, pages 1-14.
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Rafat Ali, Sorforaj A. Laskar, Nida Jamil Khan, Shadma Wahab & Mohammad Khalid. (2023) Non-coding RNA’s prevalence as biomarkers for prognostic, diagnostic, and clinical utility in breast cancer. Functional & Integrative Genomics 23:2.
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Anam Beg, Rafat Parveen, Hassan Fouad, M. E. Yahia & Azza S. Hassanein. (2023) Identification of Driver Genes and miRNAs in Ovarian Cancer through an Integrated In-Silico Approach. Biology 12:2, pages 192.
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Mohammad Irfan Dar, Mohammad Irfan Qureshi, Sultan Zahiruddin, Sageer Abass, Bisma Jan, Armiya Sultan & Sayeed Ahmad. (2022)
In Silico
Analysis of PTP1B Inhibitors and TLC-MS Bioautography-Based Identification of Free Radical Scavenging and α-Amylase Inhibitory Compounds from Heartwood Extract of
Pterocarpus marsupium
. ACS Omega 7:50, pages 46156-46173.
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Urooj Fatima, Sonam Roy, Shahnawaz Ahmad, Lamya Ahmed Al-Keridis, Nawaf Alshammari, Mohd Adnan, Asimul Islam & Md. Imtaiyaz Hassan. (2022) Investigating neuroprotective roles of Bacopa monnieri extracts: Mechanistic insights and therapeutic implications. Biomedicine & Pharmacotherapy 153, pages 113469.
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Manzar Alam, Gulam Mustafa Hasan, Md Meraj Ansari, Rishi Sharma, Dharmendra Kumar Yadav & Md Imtaiyaz Hassan. (2022) Therapeutic implications and clinical manifestations of thymoquinone. Phytochemistry 200, pages 113213.
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Bin Xue, Debarati DasGupta, Manzar Alam, Mohd Shahnawaz Khan, Shuo Wang, Anas Shamsi, Asimul Islam & Md. Imtaiyaz Hassan. (2022) Investigating binding mechanism of thymoquinone to human transferrin, targeting Alzheimer's disease therapy. Journal of Cellular Biochemistry 123:8, pages 1381-1393.
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Mohd Yousuf, Anas Shamsi, Taj Mohammad, Naved Azum, Sulaiman Y. M. Alfaifi, Abdullah M. Asiri, Abdelbaset Mohamed Elasbali, Asimul Islam, Md Imtaiyaz Hassan & Qazi Mohd Rizwanul Haque. (2022) Inhibiting Cyclin-Dependent Kinase 6 by Taurine: Implications in Anticancer Therapeutics. ACS Omega 7:29, pages 25844-25852.
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Mohd Yousuf, Anas Shamsi, Shama Khan, Parvez Khan, Moyad Shahwan, Abdelbaset Mohamed Elasbali, Qazi Mohd Rizwanul Haque & Md. Imtaiyaz Hassan. (2022) Naringenin as a potential inhibitor of human cyclin-dependent kinase 6: Molecular and structural insights into anti-cancer therapeutics. International Journal of Biological Macromolecules 213, pages 944-954.
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Faez Iqbal Khan, Md. Tabish Rehman, Fathima Sameena, Tabish Hussain, Mohamed F AlAjmi, Dakun Lai & Md. Khurshid Alam Khan. (2022) Investigating the binding mechanism of topiramate with bovine serum albumin using spectroscopic and computational methods. Journal of Molecular Recognition 35:7.
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Anam Beg, Rafat Parveen, Hassan Fouad, M. E. Yahia & Azza S. Hassanein. (2022) Role of different non-coding RNAs as ovarian cancer biomarkers. Journal of Ovarian Research 15:1.
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Shama Khan, Fahad A. Alhumaydhi, Mohd Shahnawaz Khan, Sharaf E. Sharaf, Waleed Al Abdulmonem, Md. Imtaiyaz Hassan, Anas Shamsi & Dharmendra Kumar Yadav. (2022) Exploring binding mechanism of naringenin to human transferrin using combined spectroscopic and computational methods: Towards therapeutic targeting of neurodegenerative diseases. Journal of Molecular Liquids 356, pages 119001.
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Shabnam Ghahremanian, Mohammad Mehdi Rashidi, Kimai Raeisi & Davood Toghraie. (2022) Molecular dynamics simulation approach for discovering potential inhibitors against SARS-CoV-2: A structural review. Journal of Molecular Liquids 354, pages 118901.
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Shoaib Alam, Taj Mohammad, Rayees A. Padder, Md. Imtaiyaz Hassan & Mohammad Husain. (2021) Thymoquinone and quercetin induce enhanced apoptosis in non‐small cell lung cancer in combination through the Bax/Bcl2 cascade. Journal of Cellular Biochemistry 123:2, pages 259-274.
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Cheng‐Fan Lee, Yu‐An Chen, Elizabeth Hernandez, Rey‐Chen Pong, Shihong Ma, Mia Hofstad, Payal Kapur, Haiyen Zhau, Leland WK Chung, Chih‐Ho Lai, Ho Lin, Ming‐Shyue Lee, Ganesh V Raj & Jer‐Tsong Hsieh. (2022) The central role of Sphingosine kinase 1 in the development of neuroendocrine prostate cancer (NEPC): A new targeted therapy of NEPC. Clinical and Translational Medicine 12:2.
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Manzar Alam, Ahmad Abu Turab Naqvi & Md. Imtaiyaz Hassan. 2022. Systems Biomedicine Approaches in Cancer Research. Systems Biomedicine Approaches in Cancer Research
97
114
.
Anam Beg & Rafat Parveen. 2022. Computational Intelligence in Oncology. Computational Intelligence in Oncology
271
284
.
Faez Iqbal Khan, Tongzhou Kang, Haider Ali & Dakun Lai. (2021) Remdesivir Strongly Binds to RNA-Dependent RNA Polymerase, Membrane Protein, and Main Protease of SARS-CoV-2: Indication From Molecular Modeling and Simulations. Frontiers in Pharmacology 12.
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Manish Rana, Rizwan Arif, Faez Iqbal Khan, Vikas Maurya, Raja Singh, Md Imam Faizan, Shama Yasmeen, Sajad Hussain Dar, Raquib Alam, Ankita Sahu, Tanveer Ahmad & Rahisuddin. (2021) Pyrazoline analogs as potential anticancer agents and their apoptosis, molecular docking, MD simulation, DNA binding and antioxidant studies. Bioorganic Chemistry 108, pages 104665.
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Kehinde F. Omolabi, Clement Agoni, Fisayo A. Olotu & Mahmoud E. S. Soliman. (2020) Molecular Basis of P131 Cryptosporidial-IMPDH Selectivity—A Structural, Dynamical and Mechanistic Stance. Cell Biochemistry and Biophysics 79:1, pages 11-24.
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Kagiso Pooe, Roland Worth, Emmanuel Amarachi Iwuchukwu, Heini W. Dirr & Ikechukwu Achilonu. (2021) An empirical and theoretical description of Schistosoma japonicum glutathione transferase inhibition by bromosulfophthalein and indanyloxyacetic acid 94. Journal of Molecular Structure 1223, pages 128892.
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Anam Beg & Rafat Parveen. 2021. Translational Bioinformatics in Healthcare and Medicine. Translational Bioinformatics in Healthcare and Medicine
141
148
.
Faez Iqbal Khan, Preeti Gupta, Sonam Roy, Naved Azum, Khalid A. Alamry, Abdullah M. Asiri, Dakun Lai & Md. Imtaiyaz Hassan. (2020) Mechanistic insights into the urea-induced denaturation of human sphingosine kinase 1. International Journal of Biological Macromolecules 161, pages 1496-1505.
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Faez Iqbal Khan, Fakhrul Hassan, Razique Anwer, Feng Juan & Dakun Lai. (2020) Comparative Analysis of Bacteriophytochrome Agp2 and Its Engineered Photoactivatable NIR Fluorescent Proteins PAiRFP1 and PAiRFP2. Biomolecules 10:9, pages 1286.
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Preeti Gupta, Shama Khan, Zeynab Fakhar, Afzal Hussain, Md. Tabish Rehman, Mohamed F. AlAjmi, Asimul Islam, Faizan Ahmad & Md. Imtaiyaz Hassan. (2020) Identification of Potential Inhibitors of Calcium/Calmodulin-Dependent Protein Kinase IV from Bioactive Phytoconstituents. Oxidative Medicine and Cellular Longevity 2020, pages 1-14.
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Deeba Shamim Jairajpuri, Taj Mohammad, Kirtika Adhikari, Preeti Gupta, Gulam Mustafa Hasan, Mohamed F. Alajmi, Md. Tabish Rehman, Afzal Hussain & Md. Imtaiyaz Hassan. (2020) Identification of Sphingosine Kinase-1 Inhibitors from Bioactive Natural Products Targeting Cancer Therapy. ACS Omega 5:24, pages 14720-14729.
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Ahmad Abu Turab Naqvi, Gulam Mustafa Hasan & Md. Imtaiyaz Hassan. (2020) Targeting Tau Hyperphosphorylation via Kinase Inhibition: Strategy to Address Alzheimer's Disease. Current Topics in Medicinal Chemistry 20:12, pages 1059-1073.
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Dongfang Xu, Guangpu Xue, Bangya Peng, Zanjie Feng, Hongling Lu & Lihu Gong. (2020) High-Throughput Docking and Molecular Dynamics Simulations towards the Identification of Potential Inhibitors against Human Coagulation Factor XIIa. Computational and Mathematical Methods in Medicine 2020, pages 1-13.
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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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Saleha Anwar, Taj Mohammad, Anas Shamsi, Aarfa Queen, Shahnaz Parveen, Suaib Luqman, Gulam Mustafa Hasan, Khalid A. Alamry, Naved Azum, Abdullah M. Asiri & Md. Imtaiyaz Hassan. (2020) Discovery of Hordenine as a Potential Inhibitor of Pyruvate Dehydrogenase Kinase 3: Implication in Lung Cancer Therapy. Biomedicines 8:5, pages 119.
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Fakhrul Hassan, Faez Iqbal Khan, Honghong Song, Dakun Lai & Feng Juan. (2020) Effects of reverse genetic mutations on the spectral and photochemical behavior of a photoactivatable fluorescent protein PAiRFP1. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 228, pages 117807.
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Taj Mohammad, Shiza Siddiqui, Anas Shamsi, Mohamed F. Alajmi, Afzal Hussain, Asimul Islam, Faizan Ahmad & Md. Imtaiyaz Hassan. (2020) Virtual Screening Approach to Identify High-Affinity Inhibitors of Serum and Glucocorticoid-Regulated Kinase 1 among Bioactive Natural Products: Combined Molecular Docking and Simulation Studies. Molecules 25:4, pages 823.
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Yang Yang, Chong-Yin Shi, Jing Xie, Jia-He Dai, Shui-Lian He & Yang Tian. (2020) Identification of Potential Dipeptidyl Peptidase (DPP)-IV Inhibitors among Moringa oleifera Phytochemicals by Virtual Screening, Molecular Docking Analysis, ADME/T-Based Prediction, and In Vitro Analyses. Molecules 25:1, pages 189.
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Taj Mohammad, Sagar Batra, Rashmi Dahiya, Mohammad Hassan Baig, Irfan Ahmad Rather, Jae-June Dong & Imtaiyaz Hassan. (2019) Identification of High-Affinity Inhibitors of Cyclin-Dependent Kinase 2 Towards Anticancer Therapy. Molecules 24:24, pages 4589.
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Preeti Gupta, Taj Mohammad, Rashmi Dahiya, Sonam Roy, Omar Mohammed Ali Noman, Mohamed F. Alajmi, Afzal Hussain & Md. Imtaiyaz Hassan. (2019) Evaluation of binding and inhibition mechanism of dietary phytochemicals with sphingosine kinase 1: Towards targeted anticancer therapy. Scientific Reports 9:1.
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Huma Naz, Mohd. Tarique, Shahzaib Ahamad, Mohamed F. Alajmi, Afzal Hussain, Md. Tabish Rehman, Suaib Luqman & Md. Imtaiyaz Hassan. (2019) Hesperidin‐CAMKIV interaction and its impact on cell proliferation and apoptosis in the human hepatic carcinoma and neuroblastoma cells. Journal of Cellular Biochemistry 120:9, pages 15119-15130.
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Parvez Khan, Aarfa Queen, Taj Mohammad, Smita, Nashrah Sharif Khan, Zubair Bin Hafeez, Md. Imtaiyaz Hassan & Sher Ali. (2019) Identification of α-Mangostin as a Potential Inhibitor of Microtubule Affinity Regulating Kinase 4. Journal of Natural Products 82:8, pages 2252-2261.
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Rashmi Dahiya, Taj Mohammad, Preeti Gupta, Anzarul Haque, Mohamed F. Alajmi, Afzal Hussain & Md. Imtaiyaz Hassan. (2019) Molecular interaction studies on ellagic acid for its anticancer potential targeting pyruvate dehydrogenase kinase 3. RSC Advances 9:40, pages 23302-23315.
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