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    Publications listed below are automatically derived from MEDLINE/PubMed and other sources, which might result in incorrect or missing publications. Faculty can login to make corrections and additions.
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    PMC Citations indicate the number of times the publication was cited by articles in PubMed Central, and the Altmetric score represents citations in news articles and social media. (Note that publications are often cited in additional ways that are not shown here.) Fields are based on how the National Library of Medicine (NLM) classifies the publication's journal and might not represent the specific topic of the publication. Translation tags are based on the publication type and the MeSH terms NLM assigns to the publication. Some publications (especially newer ones and publications not in PubMed) might not yet be assigned Field or Translation tags.) Click a Field or Translation tag to filter the publications.
    1. Shakeel I, Haider S, Khan S, Ahmed S, Hussain A, Alajmi MF, Chakrabarty A, Afzal M, Imtaiyaz Hassan M. Thymoquinone, artemisinin, and thymol attenuate proliferation of lung cancer cells as Sphingosine kinase 1 inhibitors. Biomed Pharmacother. 2024 Aug; 177:117123. PMID: 39004062.
      Citations:    Fields:    Translation:HumansCells
    2. Anwar S, Khan S, Hussain A, Alajmi MF, Shamsi A, Hassan MI. Investigating Pyruvate Dehydrogenase Kinase 3 Inhibitory Potential of Myricetin Using Integrated Computational and Spectroscopic Approaches. ACS Omega. 2024 Jul 09; 9(27):29633-29643. PMID: 39005765; PMCID: PMC11238318.
      Citations:    
    3. Yousuf M, Khan S, Hussain A, Alajmi MF, Shamsi A, Haque QMR, Islam A, Hassan MI. Exploring therapeutic potential of Rutin by investigating its cyclin-dependent kinase 6 inhibitory activity and binding affinity. Int J Biol Macromol. 2024 Apr; 264(Pt 2):130624. PMID: 38453105.
      Citations:    Fields:    Translation:HumansCells
    4. Jairajpuri DS, Khan S, Anwar S, Hussain A, Alajmi MF, Hassan I. Investigating the role of thymol as a promising inhibitor of pyruvate dehydrogenase kinase 3 for targeted cancer therapy. Int J Biol Macromol. 2024 Feb; 259(Pt 2):129314. PMID: 38211912.
      Citations:    Fields:    Translation:Humans
    5. Khan S, Madhi SA, Olwagen C. Structure-based identification of novel inhibitors targeting the enoyl-ACP reductase enzyme of Acinetobacter baumannii. Sci Rep. 2023 12 04; 13(1):21331. PMID: 38044353; PMCID: PMC10694131.
      Citations: 1     Fields:    Translation:HumansCells
    6. Shakeel I, Khan S, Roy S, Sherwani F, Ahmad SF, Sohal SS, Afzal M, Hassan MI. Investigating potential of cholic acid, syringic acid, and mangiferin as cancer therapeutics through sphingosine kinase 1 inhibition. Int J Biol Macromol. 2023 Dec 31; 253(Pt 5):127036. PMID: 37788733.
      Citations:    Fields:    Translation:Humans
    7. Khan A, Bealy MA, Alharbi B, Khan S, Alharethi SH, Al-Soud WA, Mohammad T, Hassan MI, Alshammari N, Ahmed Al-Keridis L. Discovering potential inhibitors of Raf proto-oncogene serine/threonine kinase 1: a virtual screening approach towards anticancer drug development. J Biomol Struct Dyn. 2024 Feb-Mar; 42(4):1846-1857. PMID: 37104027.
      Citations: 1     Fields:    Translation:Cells
    8. Khan S, Madhi SA, Olwagen C. In-silico identification of potential inhibitors against FabI protein in Klebsiella pneumoniae. J Biomol Struct Dyn. 2024 Feb-Mar; 42(3):1506-1517. PMID: 37105229.
      Citations: 2     Fields:    Translation:Cells
    9. Yousuf M, Shamsi A, Khan S, Khan P, Shahwan M, Elasbali AM, Haque QMR, Hassan MI. Naringenin as a potential inhibitor of human cyclin-dependent kinase 6: Molecular and structural insights into anti-cancer therapeutics. Int J Biol Macromol. 2022 Jul 31; 213:944-954. PMID: 35690164.
      Citations: 8     Fields:    Translation:Humans
    10. Arendse M, Khan S, Wani MY, Aqlan FM, Al-Bogami AS, Ahmad A. Quorum Sensing and Biofilm Disrupting Potential of Imidazole Derivatives in Chromobacterium violaceum Using Antimicrobial and Drug Discovery Approaches. Braz J Microbiol. 2022 Jun; 53(2):565-582. PMID: 35301694.
      Citations: 1     Fields:    Translation:Cells
    11. Shafie A, Khan S, Mohammad T, Anjum F, Hasan GM, Yadav DK, Hassan MI. Identification of Phytoconstituents as Potent Inhibitors of Casein Kinase-1 Alpha Using Virtual Screening and Molecular Dynamics Simulations. Pharmaceutics. 2021 Dec 15; 13(12). PMID: 34959438; PMCID: PMC8707374.
      Citations: 10     
    12. Anwar S, Khan S, Anjum F, Shamsi A, Khan P, Fatima H, Shafie A, Islam A, Hassan MI. Myricetin inhibits breast and lung cancer cells proliferation via inhibiting MARK4. J Cell Biochem. 2022 02; 123(2):359-374. PMID: 34751461.
      Citations: 15     Fields:    Translation:HumansCells
    13. AlAjmi MF, Khan S, Choudhury A, Mohammad T, Noor S, Hussain A, Lu W, Eapen MS, Chimankar V, Hansbro PM, Sohal SS, Elasbali AM, Hassan MI. Impact of Deleterious Mutations on Structure, Function and Stability of Serum/Glucocorticoid Regulated Kinase 1: A Gene to Diseases Correlation. Front Mol Biosci. 2021; 8:780284. PMID: 34805284; PMCID: PMC8597711.
      Citations: 5     
    14. Shafie A, Khan S, Batra S, Anjum F, Mohammad T, Alam S, Yadav DK, Islam A, Hassan MI. Investigating single amino acid substitutions in PIM1 kinase: A structural genomics approach. PLoS One. 2021; 16(10):e0258929. PMID: 34679086; PMCID: PMC8535467.
      Citations: 4     Fields:    Translation:Humans
    15. Waseem R, Anwar S, Khan S, Shamsi A, Hassan MI, Anjum F, Shafie A, Islam A, Yadav DK. MAP/Microtubule Affinity Regulating Kinase 4 Inhibitory Potential of Irisin: A New Therapeutic Strategy to Combat Cancer and Alzheimer's Disease. Int J Mol Sci. 2021 Oct 12; 22(20). PMID: 34681645; PMCID: PMC8537121.
      Citations: 13     Fields:    Translation:HumansCells
    16. Umair M, Khan S, Mohammad T, Shafie A, Anjum F, Islam A, Hassan MI. Impact of single amino acid substitution on the structure and function of TANK-binding kinase-1. J Cell Biochem. 2021 10; 122(10):1475-1490. PMID: 34237165.
      Citations: 6     Fields:    Translation:HumansCells
    17. Anwar S, Khan S, Shamsi A, Anjum F, Shafie A, Islam A, Ahmad F, Hassan MI. Structure-based investigation of MARK4 inhibitory potential of Naringenin for therapeutic management of cancer and neurodegenerative diseases. J Cell Biochem. 2021 10; 122(10):1445-1459. PMID: 34121218.
      Citations: 13     Fields:    Translation:HumansCells
    18. Habib I, Khan S, Mohammad T, Hussain A, Alajmi MF, Rehman T, Anjum F, Hassan MI. Impact of non-synonymous mutations on the structure and function of telomeric repeat binding factor 1. J Biomol Struct Dyn. 2021 May 13; 1-14. PMID: 33982644.
      Citations: 4     Fields:    Translation:Cells
    19. Roy S, Khan S, Jairajpuri DS, Hussain A, Alajmi MF, Islam A, Luqman S, Parvez S, Hassan MI. Investigation of sphingosine kinase 1 inhibitory potential of cinchonine and colcemid targeting anticancer therapy. J Biomol Struct Dyn. 2021 Feb 10; 1-13. PMID: 33565370.
      Citations: 3     Fields:    
    20. Khan S, Fakhar Z, Ahmad A. Targeting ebola virus VP40 protein through novel inhibitors: exploring the structural and dynamic perspectives on molecular landscapes. J Mol Model. 2021 Jan 25; 27(2):49. PMID: 33495861.
      Citations: 2     Fields:    Translation:HumansCells
    21. Fakhar Z, Khan S, AlOmar SY, Alkhuriji A, Ahmad A. ABBV-744 as a potential inhibitor of SARS-CoV-2 main protease enzyme against COVID-19. Sci Rep. 2021 01 08; 11(1):234. PMID: 33420186; PMCID: PMC7794216.
      Citations: 14     Fields:    Translation:HumansCells
    22. Tonkin M, Khan S, Wani MY, Ahmad A. Quorum Sensing - A Stratagem for Conquering Multi-Drug Resistant Pathogens. Curr Pharm Des. 2021; 27(25):2835-2847. PMID: 33302856.
      Citations: 10     Fields:    
    23. Khan S, Fakhar Z, Hussain A, Ahmad A, Jairajpuri DS, Alajmi MF, Hassan MI. Structure-based identification of potential SARS-CoV-2 main protease inhibitors. J Biomol Struct Dyn. 2022 05; 40(8):3595-3608. PMID: 33210561; PMCID: PMC7682383.
      Citations: 14     Fields:    Translation:HumansCells
    24. Gupta P, Khan S, Fakhar Z, Hussain A, Rehman MT, AlAjmi MF, Islam A, Ahmad F, Hassan MI. Identification of Potential Inhibitors of Calcium/Calmodulin-Dependent Protein Kinase IV from Bioactive Phytoconstituents. Oxid Med Cell Longev. 2020; 2020:2094635. PMID: 32724490; PMCID: PMC7382742.
      Citations: 11     Fields:    Translation:HumansCells
    25. Lone SA, Khan S, Ahmad A. Inhibition of ergosterol synthesis in Candida albicans by novel eugenol tosylate congeners targeting sterol 14a-demethylase (CYP51) enzyme. Arch Microbiol. 2020 May; 202(4):711-726. PMID: 31786635.
      Citations: 7     Fields:    Translation:HumansAnimals
    26. Bjij I, Ramharack P, Khan S, Cherqaoui D, Soliman MES. Tracing Potential Covalent Inhibitors of an E3 Ubiquitin Ligase through Target-Focused Modelling. Molecules. 2019 Aug 28; 24(17). PMID: 31466292; PMCID: PMC6749425.
      Citations: 2     Fields:    Translation:HumansCells
    27. Khan S, Bjij I, Soliman MES. Selective Covalent Inhibition of "Allosteric Cys121" Distort the Binding of PTP1B Enzyme: A Novel Therapeutic Approach for Cancer Treatment. Cell Biochem Biophys. 2019 Sep; 77(3):203-211. PMID: 31446553.
      Citations: 8     Fields:    Translation:HumansCells
    28. Bjij I, Khan S, Ramharak P, Cherqaoui D, Soliman MES. Distinguishing the optimal binding mechanism of an E3 ubiquitin ligase: Covalent versus noncovalent inhibition. J Cell Biochem. 2019 08; 120(8):12859-12869. PMID: 30854719.
      Citations: 4     Fields:    Translation:HumansCells
    29. Bjij I, Khan S, Betz R, Cherqaoui D, Soliman MES. Exploring the Structural Mechanism of Covalently Bound E3 Ubiquitin Ligase: Catalytic or Allosteric Inhibition? Protein J. 2018 12; 37(6):500-509. PMID: 30232697.
      Citations: 1     Fields:    Translation:HumansCells
    30. Khan S, Bjij I, Olotu FA, Agoni C, Adeniji E, S Soliman ME. Covalent simulations of covalent/irreversible enzyme inhibition in drug discovery: a reliable technical protocol. Future Med Chem. 2018 10; 10(19):2265-2275. PMID: 30273013.
      Citations: 3     Fields:    Translation:Cells
    31. Olotu F, Adeniji E, Agoni C, Bjij I, Khan S, Elrashedy A, Soliman M. An update on the discovery and development of selective heat shock protein inhibitors as anti-cancer therapy. Expert Opin Drug Discov. 2018 10; 13(10):903-918. PMID: 30207185.
      Citations: 8     Fields:    Translation:Humans
    32. Khan S, Bjij I, Betz RM, Soliman ME. Reversible versus irreversible inhibition modes of ERK2: a comparative analysis for ERK2 protein kinase in cancer therapy. Future Med Chem. 2018 05 01; 10(9):1003-1015. PMID: 29629569.
      Citations: 14     Fields:    Translation:HumansCells
    33. Bjij I, Olotu FA, Agoni C, Adeniji E, Khan S, El Rashedy A, Cherqaoui D, Soliman MES. Covalent Inhibition in Drug Discovery: Filling the Void in Literature. Curr Top Med Chem. 2018; 18(13):1135-1145. PMID: 30068277.
      Citations: 6     Fields:    Translation:HumansCells
    34. Khan S, Shahbaaz M, Bisetty K, Ahmad F, Hassan MI. Classification and Functional Analyses of Putative Conserved Proteins from Chlamydophila pneumoniae CWL029. Interdiscip Sci. 2017 Mar; 9(1):96-106. PMID: 26649559.
      Citations: 1     Fields:    Translation:Cells
    35. Naz F, Shahbaaz M, Khan S, Bisetty K, Islam A, Ahmad F, Hassan MI. PKR-inhibitor binds efficiently with human microtubule affinity-regulating kinase 4. J Mol Graph Model. 2015 Nov; 62:245-252. PMID: 26519933.
      Citations: 4     Fields:    Translation:HumansCells
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