Drug Discovery | Hassan3

Shamsi, A.; Mohammad, T.; Anwar, S.; Alajmi, M.F.; Hussain, A.; Rehman, M.T.; Islam, A.; Hassan, M.I. (2020) Glecaprevir and Maraviroc are high-affinity inhibitors of SARS-CoV-2 main protease: Possible therapeutic implication in COVID-19. Bioscience Report (In Press).
Gu S, Zaidi S, Hassan MI, Mohammad T, Malta TM, Noushmehr H, Nguyen B, Mishra B, Obias V, Lin P, Nguyen B, Yao M, Yao R, King CH, Mazumder R, Rao S, and Mishra L (2020) Mutated CEACAMs Disrupt Transforming Growth Factor Beta Signaling and Alter the Intestinal Microbiome to Promote Colorectal Carcinogenesis. Gastroenterology 158(1):238-252.
Anwar S, Shamsi A, Shahbaaz M, Queen A, Khan P, Hasan GM, Islam A, Alajmi MF, Hussain A, Ahmad F, Hassan MI (2020) Rosmarinic Acid Exhibits Anticancer Effects via MARK4 Inhibition. Scientific Reports (In Press).
Khan NS, Khan P, Inam A, Ahmad K, Yousuf M, Islam A, Ali S, Azam A, Husain M, and Hassan MI (2020) Discovery of 4-(2-(dimethylamino) ethoxy) benzo-hydrazide derivatives as prospective microtubule affinity regulating kinase 4 inhibitors. RSC Advances (In Press).
Shamsi, A.; Anwar, S.; Mohammad, T.; Alajmi, M.F.; Hussain, A.; Rehman, M.T.; Hasan, G.M.; Islam, A.; Hassan, M.I. MARK4 Inhibited by AChE Inhibitors, Donepezil and Rivastigmine Tartrate: Insights into Alzheimer’s Disease Therapy. Biomolecules, 10, 789.
Anwar, S.; Mohammad, T.; Shamsi, A.; Queen, A.; Parveen, S.; Luqman, S.; Hasan, G.M.; Alamry, K.A.; Azum, N.; Asiri, A.M.; Hassan, M.I. (2020) Discovery of Hordenine as a Potential Inhibitor of Pyruvate Dehydrogenase Kinase 3: Implication in Lung Cancer Therapy. Biomedicines, 8(5): E119.
Yousuf M, Shamsi A, Khan P, Shahbaaz M, AlAjmi MF, Hussain A, Hasan GM, Islam A, Haque QMR and Hassan MI (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): E3526.
Aneja B, Queen A, Khan P, Shamsi S, Hasan P, Rizvi MA, Daniliuc CG, Hassan MI and Abid M (2020) Design, synthesis & biological evaluation of ferulic acid-based inhibitors targeting tumor-associated carbonic anhydrase IX. Bioorganic and Medicinal Chemistry 28, 115424.
Shamsi F, Hasan P, Hussain A, Khan PK, Zeya B, King H, Rana S, Garrison J, Queen A, AlAjmi MF, Rizvi MA, Zahid M, Hassan MI, Abid M (2020) Synthesis and SAR studies of novel 1,2,4-oxadiazole-sulfonamide based compounds as potential anticancer agents for colorectal cancer therapy. Bioorganic Chemistry 98, 103754.
Alsharif MA, Khan D, Ahmed N, Mukhtar S, Khan P, Hassan MI, Almalki AS, Obaid RJ. Pharmacological Activities of Novel Chromene Derivatives as Calcium/Calmodulin Dependent Protein Kinase IV (CAMKIV) Inhibitors. Chemistry Select. 5(2):498-505.
Gupta P, Mohammad T, Dahiya R, Roy S, Noman, A, Alajmi F, Hussain A, Hassan MI (2019) Evaluation of binding and inhibition mechanism of dietary phytochemicals with sphingosine kinase 1: Towards targeted anticancer therapy. Scientific Reports, 9 (1), 18727.
Khan P, Queen A, Mohammad T, Smita NA, Nashrah NS, Zubair H, Hassan MI, Ali S (2019) Identification of α-Mangostin as a Potential Inhibitor of Microtubule Affinity Regulating Kinase 4. Journal of Natural Products 82(8):2252-2261.
Gupta P, Mohammad T, Khan P, Roy S, Alajmi F, Hussain A, Hassan MI (2019) Evaluation of Ellagic Acid as an Inhibitor of Sphingosine Kinase 1: A Targeted Approach towards Anticancer Therapy. Biomedicine & Pharmacotherapy 118:109245
Dahiya R, Mohammad T, Khan P, Roy S, Anwar S, Gupta P, Alajmi F, Hussain A, Hassan MI (2019) Molecular interaction studies on ellagic acid for its anticancer potential targeting pyruvate dehydrogenase kinase 3. RSC Advances 9, 23302-23315.
Rahman S, Rehman MT, Rabbani G, Khan P, AlAjmi MF, Hassan MI, Muteeb G, Kim J. (2019) Insight of the Interaction between 2,4-thiazolidinedione and Human Serum Albumin: A Spectroscopic, Thermodynamic and Molecular Docking Study. International Journal of Molecular Sciences 20(11): E2727.
Dahiya R, Mohammad T, Roy S, Anwar S, Gupta P, Haque A, Khan P, Kazim SN, Islam A, Ahmad F, Hassan MI. (2019) Investigation of inhibitory potential of quercetin to the pyruvate dehydrogenase kinase 3: Towards implications in anticancer therapy. International Journal of Biological Macromolecules 136:1076-1085.
Voura M, Khan P, Thysiadis S, Katsamakas S, Queen A, Hasan GM, Sarli V, Hassan MI. (2019) Probing the Inhibition of Microtubule Affinity Regulating Kinase 4 by a Novel Class of N-Substituted Acridone Derivatives: Synthesis, Characterization and Biological Evaluation. Scientific Reports 9(1):1676.
Naz H, Tarique M, Ahamad S, Hussain A, Rehman MT, Alajami MF, Hassan MI. (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):15119-15130.
Aneja B, Khan NS, Khan P, Queen A, Hussain A, Rehman MT, Alajmie MF, El-Seedif HR, Ali S, Hassan MI, Abid M, (2019) Design and development of Isatin-triazole hydrazones as potential inhibitors of microtubule affinity-regulating kinase 4 for the therapeutic management of cell proliferation and metastasis. European Journal of Medicinal Chemistry 163:840-852.
Gulzar M, Syed SB, Khan FI, Khan P, Ali S, Hasan GM, Taneja P, Hassan MI (2019) Elucidation of interaction mechanism of ellagic acid to the integrin linked kinase. International Journal of Biological Macromolecules 122:1297-1304.
Khan, M.S., Agrawal, R., Ubaidullah, M., Hassan, M.I. and Tarannum, N. (2019) Design, synthesis and validation of anti-microbial coumarin derivatives: An efficient green approach. Heliyon, 5, e02615.
Gulzar M, Ali S, Khan FI, Khan P, Taneja P, Hassan MI. (2018) 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 & Dynamics 37(16):4327-4337.
Parveen I, Khan P, Alis S, Hassan MI and Ahmad N (2018) Synthesis, Molecular docking and Inhibition studies of novel 3-N-aryl substituted-2-heteroarylchromones targeting Microtubule Affinity Regulating Kinase 4 Inhibitors. European Journal of Medicinal Chemistry 159:166-177.
Khan NS, Khan P, Ansari MF, Srivastava S, Hasan GM, Husain M, Hassan MI. (2018) Thienopyrimidine-Chalcones Hybrid Molecules Inhibits Fas-activated Serine/Threonine Kinase: An Approach to Ameliorates Antiproliferation in Human Breast Cancer Cells. Molecular Pharmaceutics 15(9):4173-4189.
Queen A, Khan P, Azam A and Hassan MI (2018) Understanding the role and mechanism of carbonic anhydrase V in obesity and its therapeutic implications. Current Protein Peptide Science 19(9):909-923.
Queen A, Khan P, Idrees D, Azam A, Hassan MI. Biological evaluation of p-toluene sulphonylhydrazone as carbonic anhydrase IX inhibitors: An approach to fight hypoxia-induced tumors. International Journal of Biological Macromolecules 2018 106:840-850.
Idrees D, Handiwala M, Mahapatra AD, Roy S, Ahamad S, Khan P, Datta B and Hassan MI (2018) Implication of sulfonylurea derivatives as prospective inhibitors of human carbonic anhydrase II. International Journal of Biological Macromolecules 115:961-969.
Peerzada MN, Khan P, Ahmad K, Hassan MI, Azam A (2018) Synthesis, characterization and biological evaluation of tertiary sulfonamide derivatives of pyridyl-indole based heteroaryl chalcone as potential carbonic anhydrase IX inhibitors and anticancer agents. European Journal of Medicinal Chemistry 155:13-23.
Naz F, Khan FI, Khan P, Manzoor S, Hasan MG, Luqman S, Islam A, Lobb K, Ahmad F and Hassan (2018) Investigation of Molecular Mechanism of Recognition between Citral and MARK4: A Newer Therapeutic Approach to Attenuate Cancer Cell Progression. International Journal of Biological Macromolecules 107(Pt B):2580-2589.
Naz H, Tarique M, Khan P, Luqman S, Ahamad S, Islam A, Ahmad F and Hassan MI (2018) Evidence of vanillin binding to CAMKIV explains the anticancer mechanism in human hepatic carcinoma and neuroblastoma cells. Molecular and Cellular Biochemistry 438(1-2):35-45.
Ansari MF, Idrees D, Hassan MI, Ahmad K, Avecilla F, Azam A. (2018) Design, synthesis and biological evaluation of novel pyridine-thiazolidinone derivatives as anticancer agents: Targeting human carbonic anhydrase IX. European Journal of Medicinal Chemistry 144:544-556.
Khan P, Manzoor S, Queen A, Naz F. Rahman S, Kim J, Luqman S, Hasan GM, Islam A, Ahmad F and Hassan MI (2017) Elucidation of Dietary Polyphenolics as Potential Inhibitor of Microtubule Affinity Regulating Kinase 4: In silico and In vitro Studies. Scientific Reports 7(1):9470.
Khan I, Ahmad N, Idrees D, Hassan MI (2017) Synthesis, estrogen receptor binding affinity and molecular docking of pyrimidine-piperazine-chromene and -quinoline conjugates. Bioorganic and Medicinal Chemistry Letters 27(18):4493-4499.
Ahamad S, Rahman S, Khan FI, Dwivedi N, Ali S, Kim J, Hassan MI. (2017) QSAR based therapeutic management of M. tuberculosis. Archives of Pharmacal Research 40(6):676-694.
Sami N, Rahman S, Kumar V, Zaidi S, Islam A, Ali S, Ahmad F, Hassan MI. (2017) Protein aggregation, misfolding and consequential human neurodegenerative diseases. International Journal of Neuroscience 127(11):1047-1057.
Mishra CB, Kumari S, Idrees D, Prakash A, Tiwari M, Hassan MI (2017) Design, Synthesis, In-Silico and Biological Evaluation of novel 2-(4-(4- substituted piperazin-1-yl) benzylidene) hydrazine carboxamides. Molecular Diversity 21(1):163-174.
Naz H, Khan P, Tarique M, Rahman S, Ahamad S, Meena A, Luqman S, Islam A, Ahmad F and Hassan MI (2017) Binding studies and biological evaluation of β-carotene as a potential inhibitor of human calcium/calmodulin-dependent protein kinase IV. International Journal of Biological Macromolecules 96:161-170.
Jameel E, Naz H, Khan P, Kumar J, Tarique M, Hoda N, Mumtazuddin S, Ahamad S, Islam A, Ahmad F and Hassan MI (2016) Design, synthesis and biological evaluation of pyrimidine derivatives as potential inhibitors of human CAMKIV. Chemical Biology & Drug Design 89(5):741-754.
Kumar V, Sami N, Kashav T, Islam A, Ahmad F, Hassan MI. (2016) Protein aggregation and neurodegenerative diseases: From theory to therapy. European Journal of Medicinal Chemistry 124:1105-1120.
Kumari S, Idrees D, Mishra CM, Prakash P, Wahiduzzaman, Ahmad F, Hassan MI, Tiwari M (2016) Design and synthesis of a novel class of carbonic anhydrase-IX inhibitor 1-(3-(phenyl/4-fluorophenyl)-7-imino-3H-[1,2,3]triazolo[4,5d]pyrimidin 6(7H)yl)urea. Journal of Molecular Graphics and Modeling 64:101-109.
Naz H, Jameel E, Hoda N, Shandilya A, Khan P, Islam A, Ahmad F, Jayaram B, Hassan MI (2016) Structure guided design of potential inhibitors of human calcium-calmodulin dependent protein kinase IV containing pyrimidine scaffold. Bioorganic and Medicinal Chemistry Letters 26(3):782-788.
Naz H, Islam A, Ahmad F, Hassan MI (2016) Calcium/Calmodulin-dependent protein kinase IV: A multifunctional enzyme and potential therapeutic target. Progress in Biophysics and Molecular Biology 121(1):54-65.
Idrees D, Kumar D, Rehman SA, Gourinath S, Islam A, Ahmad F and Hassan MI (2016) Cloning, Expression, Purification of Characterization of Human Mitochondrial Carbonic Anhydrase VA. 3Biotech 6 (1), 1-8.
Hassan MI (2016) Recent Advances in the Structure-based Drug design (SBDD) and Discovery. Current Topics in Medicinal Chemistry 16 (9), 899-900.
Hoda N.; Naz H.; Jameel E.; Shandilya A.; Dey S.; Hassan M.I., Ahmad F; Jayaram B. (2016) Curcumin Specifically binds to the Human Calcium-calmodulin Dependent Protein Kinase IV: Fluorescence and Molecular Dynamics Simulation Studies, Journal of Biomolecular Structure and Dynamics 34 (3):572-84
Naz F, Shahbaaz, M., Bisetty K., Islam A, Ahmad F, Hassan MI. (2015) Designing new kinase inhibitor derivatives as therapeutics against common complex diseases: Structural basis of microtubule affinity-regulating kinase 4 (MARK4) inhibition. OMICS: Integrative Biology 19(11):700-11
Naz F, Shahbaaz, M., Khan S, Bisetty K., Islam A, Ahmad F, Hassan MI. (2015) PKR-inhibitor binds efficiently with human microtubule affinity-regulating kinase 4. Journal of Molecular Graphics and Modeling 62:245-52.
Naz F, Islam A, Ahmad F, Hassan MI. (2015) Atypical PKC phosphorylates microtubule affinity-regulating kinase 4 in vitro. Molecular and Cellular Biochemistry 410 (1-2): 223-8.
Aneja B., Irfan M., Hassan M. I., Amresh P., Yadava U., Daniliuc C.G., Azam A; Zafaryab M; Moshahid RA; Abid M, (2016) Monocyclic β-lactam and unexpected oxazinone formation: Synthesis, crystal structure, docking studies and antibacterial evaluation. Journal of Enzyme Inhibition and Medicinal Chemistry 31(5):834-852.
Hassan MI, Waheed A, Grubb JH, Klei HE, Anumula GR, Korolev S and Sly WS (2013) High resolution crystal structure of human β-glucuronidase reveals structural basis of lysosome targeting. Plos ONE 8(11): e79687.
Naz H, Islam I. Waheed A, Ahmad F, Sly WS, Hassan MI (2013) Human β-glucuronidase: Structure, function and application in enzyme replacement therapy. Rejuvenation Research 16(5):352-363.
Hassan MI, Saji B, Ahmad F, Waheed A and Sly WS (2013) Structure and functions of carbonic anhydrases. Bioorganic & Medicinal Chemistry 21(6):1570-82
Naz F, Anjum F, Islam A, Ahmad F, Hassan MI. (2013) Microtubule Affinity-Regulating Kinase 4: Structure, Function, and Regulation. Cell Biochemistry & Biophysics. 67(2):485-499.
Hassan MI, Saxena A and Ahmad F (2012) Structure and function of VWF, the Protein That is Deficient and/or Abnormal in Inherited VWD. Blood Coagulation & Fibrinolysis 23:11-22
Hassan, M.I., Aijaz A and Ahmad F. (2010). Structural and Functional Analysis of Human Prostatic Acid Phosphatase, a Prognostic Biomarker for Prostate Carcinoma. Expert Review of Anticancer Therapy 10: 1055-1068.
Hassan, M.I., Toor, A., Ahmad, F. (2010) Progastriscin: structure, function, and its role in tumor progression. Journal of Molecular Cell Biology 2, 118-27.
Hassan, M.I., Naiyer, A., Ahmad, F. Fragile histidine triad protein: structure, function, and its association with tumorogenesis. Journal of Cancer Research and Clinical Oncology 136, 333-50.
Kumar, V., Hassan, M.I., Singh, A.K., Dey, S., Singh, T.P. and Yadav, S. (2009) Strategy for sensitive and specific detection of molecular forms of PSA based on 2DE and kinetic analysis: a step towards diagnosis of prostate cancer. Clinica Chimica Acta 403: 17-22.
Kumar, V., Hassan, M.I., Tomar, A.K., Kashav, T., Nautiyal, J., Singh, S., Singh, T.P., Yadav, S. (2009) Proteomic analysis of heparin-binding proteins from human seminal plasma: a step towards identification of molecular markers of male fertility. Journal of Biosciences 34, 899-908.
Hassan, M. I., Waheed, A and Ahmad F. (2009) Prolactin Inducible protein in cancer, structure, functions and its clinical implications. Cellular and Molecular Life Sciences 66: 447-459.
Hassan, M. I., Kumar, V., Singh, T.P. and Yadav, S. (2008) Purification and Characterization of a Novel Complex of Zinc α2-glycoprotein and Prolactin Inducible Protein from. Human Seminal Plasma. Journal of Separation Science 31, 2318-2324.2.
Hassan, M. I., Waheed, A., Singh, T.P. Yadav, S. and Ahmad F. (2008) Zinc α2-glycoprotein is a multidisciplinary protein. Molecular Cancer Research 6: 892-906.
Hassan, M. I., Kumar, V., Bilgrami, S., Yadav, S., Kaur, P. And Singh, T.P. (2008) Crystal structure of a novel complex formed between Zinc α2-glycoprotein (ZAG) and Prolactin inducible protein (PIP) from human seminal plasma. Journal of Molecular Biology 384: 663–672.
Hassan, M. I., Kumar, V., Singh, T.P. and Yadav, S. (2008) Proteomic analysis of human amniotic fluid from Rh– Pregnancy. Prenatal Diagnosis 28, 102–108.
Hassan, M.I., Kumar, V., Somvanshi, R.K., Dey, S., Singh, T.P. and Yadav, S. (2007) Structure-guided design of peptidic ligand for human prostate specific antigen. Journal of Peptide Science 13, 849-855.
Hassan, M.I., Kumar, V., Singh, T.P. and Yadav, S. (2007) Structural model of human PSA: a target for prostate cancer therapy. Chemical Biology and Drug Design 70, 261-267.
Hassan, M.I.,Kumar, V., Kashav, T., Alam, N., Singh, T.P. and Yadav, S. (2007) Proteomic approach for purification of seminal plasma proteins involved in tumor proliferation. Journal of Separation Science 30, 1979-1988.

Shamsi, A.; Mohammad, T.; Anwar, S.; Alajmi, M.F.; Hussain, A.; Rehman, M.T.; Islam, A.; Hassan, M.I. (2020) Glecaprevir and Maraviroc are high-affinity inhibitors of SARS-CoV-2 main protease: Possible therapeutic implication in COVID-19. Bioscience Report (In Press).

Anwar S, Shamsi A, Shahbaaz M, Queen A, Khan P, Hasan GM, Islam A, Alajmi MF, Hussain A, Ahmad F, Hassan MI (2020) Rosmarinic Acid Exhibits Anticancer Effects via MARK4 Inhibition. Scientific Reports (In Press).

Khan NS, Khan P, Inam A, Ahmad K, Yousuf M, Islam A, Ali S, Azam A, Husain M, and Hassan MI (2020) Discovery of 4-(2-(dimethylamino) ethoxy) benzo-hydrazide derivatives as prospective microtubule affinity regulating kinase 4 inhibitors. RSC Advances (In Press).

Shamsi, A.; Anwar, S.; Mohammad, T.; Alajmi, M.F.; Hussain, A.; Rehman, M.T.; Hasan, G.M.; Islam, A.; Hassan, M.I. MARK4 Inhibited by AChE Inhibitors, Donepezil and Rivastigmine Tartrate: Insights into Alzheimer’s Disease Therapy. Biomolecules, 10, 789.

Anwar, S.; Mohammad, T.; Shamsi, A.; Queen, A.; Parveen, S.; Luqman, S.; Hasan, G.M.; Alamry, K.A.; Azum, N.; Asiri, A.M.; Hassan, M.I. (2020) Discovery of Hordenine as a Potential Inhibitor of Pyruvate Dehydrogenase Kinase 3: Implication in Lung Cancer Therapy. Biomedicines, 8(5): E119.

Aneja B, Queen A, Khan P, Shamsi S, Hasan P, Rizvi MA, Daniliuc CG, Hassan MI and Abid M (2020) Design, synthesis & biological evaluation of ferulic acid-based inhibitors targeting tumor-associated carbonic anhydrase IX. Bioorganic and Medicinal Chemistry 28, 115424.

Alsharif MA, Khan D, Ahmed N, Mukhtar S, Khan P, Hassan MI, Almalki AS, Obaid RJ. Pharmacological Activities of Novel Chromene Derivatives as Calcium/Calmodulin Dependent Protein Kinase IV (CAMKIV) Inhibitors. Chemistry Select. 5(2):498-505.

Gupta P, Mohammad T, Dahiya R, Roy S, Noman, A, Alajmi F, Hussain A, Hassan MI (2019) Evaluation of binding and inhibition mechanism of dietary phytochemicals with sphingosine kinase 1: Towards targeted anticancer therapy. Scientific Reports, 9 (1), 18727.

Khan P, Queen A, Mohammad T, Smita NA, Nashrah NS, Zubair H, Hassan MI, Ali S (2019) Identification of α-Mangostin as a Potential Inhibitor of Microtubule Affinity Regulating Kinase 4. Journal of Natural Products 82(8):2252-2261.

Gupta P, Mohammad T, Khan P, Roy S, Alajmi F, Hussain A, Hassan MI (2019) Evaluation of Ellagic Acid as an Inhibitor of Sphingosine Kinase 1: A Targeted Approach towards Anticancer Therapy. Biomedicine & Pharmacotherapy 118:109245

Dahiya R, Mohammad T, Khan P, Roy S, Anwar S, Gupta P, Alajmi F, Hussain A, Hassan MI (2019) Molecular interaction studies on ellagic acid for its anticancer potential targeting pyruvate dehydrogenase kinase 3. RSC Advances 9, 23302-23315.

Rahman S, Rehman MT, Rabbani G, Khan P, AlAjmi MF, Hassan MI, Muteeb G, Kim J. (2019) Insight of the Interaction between 2,4-thiazolidinedione and Human Serum Albumin: A Spectroscopic, Thermodynamic and Molecular Docking Study. International Journal of Molecular Sciences 20(11): E2727.

Voura M, Khan P, Thysiadis S, Katsamakas S, Queen A, Hasan GM, Sarli V, Hassan MI. (2019) Probing the Inhibition of Microtubule Affinity Regulating Kinase 4 by a Novel Class of N-Substituted Acridone Derivatives: Synthesis, Characterization and Biological Evaluation. Scientific Reports 9(1):1676.

Naz H, Tarique M, Ahamad S, Hussain A, Rehman MT, Alajami MF, Hassan MI. (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):15119-15130.

Gulzar M, Syed SB, Khan FI, Khan P, Ali S, Hasan GM, Taneja P, Hassan MI (2019) Elucidation of interaction mechanism of ellagic acid to the integrin linked kinase. International Journal of Biological Macromolecules 122:1297-1304.

Khan, M.S., Agrawal, R., Ubaidullah, M., Hassan, M.I. and Tarannum, N. (2019) Design, synthesis and validation of anti-microbial coumarin derivatives: An efficient green approach. Heliyon, 5, e02615.

Gulzar M, Ali S, Khan FI, Khan P, Taneja P, Hassan MI. (2018) 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 & Dynamics 37(16):4327-4337.

Parveen I, Khan P, Alis S, Hassan MI and Ahmad N (2018) Synthesis, Molecular docking and Inhibition studies of novel 3-N-aryl substituted-2-heteroarylchromones targeting Microtubule Affinity Regulating Kinase 4 Inhibitors. European Journal of Medicinal Chemistry 159:166-177.

Khan NS, Khan P, Ansari MF, Srivastava S, Hasan GM, Husain M, Hassan MI. (2018) Thienopyrimidine-Chalcones Hybrid Molecules Inhibits Fas-activated Serine/Threonine Kinase: An Approach to Ameliorates Antiproliferation in Human Breast Cancer Cells. Molecular Pharmaceutics 15(9):4173-4189.

Queen A, Khan P, Azam A and Hassan MI (2018) Understanding the role and mechanism of carbonic anhydrase V in obesity and its therapeutic implications. Current Protein Peptide Science 19(9):909-923.

Queen A, Khan P, Idrees D, Azam A, Hassan MI. Biological evaluation of p-toluene sulphonylhydrazone as carbonic anhydrase IX inhibitors: An approach to fight hypoxia-induced tumors. International Journal of Biological Macromolecules 2018 106:840-850.

Idrees D, Handiwala M, Mahapatra AD, Roy S, Ahamad S, Khan P, Datta B and Hassan MI (2018) Implication of sulfonylurea derivatives as prospective inhibitors of human carbonic anhydrase II. International Journal of Biological Macromolecules 115:961-969.

Naz H, Tarique M, Khan P, Luqman S, Ahamad S, Islam A, Ahmad F and Hassan MI (2018) Evidence of vanillin binding to CAMKIV explains the anticancer mechanism in human hepatic carcinoma and neuroblastoma cells. Molecular and Cellular Biochemistry 438(1-2):35-45.

Ansari MF, Idrees D, Hassan MI, Ahmad K, Avecilla F, Azam A. (2018) Design, synthesis and biological evaluation of novel pyridine-thiazolidinone derivatives as anticancer agents: Targeting human carbonic anhydrase IX. European Journal of Medicinal Chemistry 144:544-556.

Khan P, Manzoor S, Queen A, Naz F. Rahman S, Kim J, Luqman S, Hasan GM, Islam A, Ahmad F and Hassan MI (2017) Elucidation of Dietary Polyphenolics as Potential Inhibitor of Microtubule Affinity Regulating Kinase 4: In silico and In vitro Studies. Scientific Reports 7(1):9470.

Khan I, Ahmad N, Idrees D, Hassan MI (2017) Synthesis, estrogen receptor binding affinity and molecular docking of pyrimidine-piperazine-chromene and -quinoline conjugates. Bioorganic and Medicinal Chemistry Letters 27(18):4493-4499.

Ahamad S, Rahman S, Khan FI, Dwivedi N, Ali S, Kim J, Hassan MI. (2017) QSAR based therapeutic management of M. tuberculosis. Archives of Pharmacal Research 40(6):676-694.

Sami N, Rahman S, Kumar V, Zaidi S, Islam A, Ali S, Ahmad F, Hassan MI. (2017) Protein aggregation, misfolding and consequential human neurodegenerative diseases. International Journal of Neuroscience 127(11):1047-1057.

Mishra CB, Kumari S, Idrees D, Prakash A, Tiwari M, Hassan MI (2017) Design, Synthesis, In-Silico and Biological Evaluation of novel 2-(4-(4- substituted piperazin-1-yl) benzylidene) hydrazine carboxamides. Molecular Diversity 21(1):163-174.

Jameel E, Naz H, Khan P, Kumar J, Tarique M, Hoda N, Mumtazuddin S, Ahamad S, Islam A, Ahmad F and Hassan MI (2016) Design, synthesis and biological evaluation of pyrimidine derivatives as potential inhibitors of human CAMKIV. Chemical Biology & Drug Design 89(5):741-754.

Kumar V, Sami N, Kashav T, Islam A, Ahmad F, Hassan MI. (2016) Protein aggregation and neurodegenerative diseases: From theory to therapy. European Journal of Medicinal Chemistry 124:1105-1120.

Naz H, Jameel E, Hoda N, Shandilya A, Khan P, Islam A, Ahmad F, Jayaram B, Hassan MI (2016) Structure guided design of potential inhibitors of human calcium-calmodulin dependent protein kinase IV containing pyrimidine scaffold. Bioorganic and Medicinal Chemistry Letters 26(3):782-788.

Naz H, Islam A, Ahmad F, Hassan MI (2016) Calcium/Calmodulin-dependent protein kinase IV: A multifunctional enzyme and potential therapeutic target. Progress in Biophysics and Molecular Biology 121(1):54-65.

Idrees D, Kumar D, Rehman SA, Gourinath S, Islam A, Ahmad F and Hassan MI (2016) Cloning, Expression, Purification of Characterization of Human Mitochondrial Carbonic Anhydrase VA. 3Biotech 6 (1), 1-8.

Hassan MI (2016) Recent Advances in the Structure-based Drug design (SBDD) and Discovery. Current Topics in Medicinal Chemistry 16 (9), 899-900.

Hoda N.; Naz H.; Jameel E.; Shandilya A.; Dey S.; Hassan M.I., Ahmad F; Jayaram B. (2016) Curcumin Specifically binds to the Human Calcium-calmodulin Dependent Protein Kinase IV: Fluorescence and Molecular Dynamics Simulation Studies, Journal of Biomolecular Structure and Dynamics 34 (3):572-84

Naz F, Shahbaaz, M., Bisetty K., Islam A, Ahmad F, Hassan MI. (2015) Designing new kinase inhibitor derivatives as therapeutics against common complex diseases: Structural basis of microtubule affinity-regulating kinase 4 (MARK4) inhibition. OMICS: Integrative Biology 19(11):700-11

Naz F, Shahbaaz, M., Khan S, Bisetty K., Islam A, Ahmad F, Hassan MI. (2015) PKR-inhibitor binds efficiently with human microtubule affinity-regulating kinase 4. Journal of Molecular Graphics and Modeling 62:245-52.

Naz F, Islam A, Ahmad F, Hassan MI. (2015) Atypical PKC phosphorylates microtubule affinity-regulating kinase 4 in vitro. Molecular and Cellular Biochemistry 410 (1-2): 223-8.

Hassan MI, Waheed A, Grubb JH, Klei HE, Anumula GR, Korolev S and Sly WS (2013) High resolution crystal structure of human β-glucuronidase reveals structural basis of lysosome targeting. Plos ONE 8(11): e79687.

Naz H, Islam I. Waheed A, Ahmad F, Sly WS, Hassan MI (2013) Human β-glucuronidase: Structure, function and application in enzyme replacement therapy. Rejuvenation Research 16(5):352-363.

Hassan MI, Saji B, Ahmad F, Waheed A and Sly WS (2013) Structure and functions of carbonic anhydrases. Bioorganic & Medicinal Chemistry 21(6):1570-82

Naz F, Anjum F, Islam A, Ahmad F, Hassan MI. (2013) Microtubule Affinity-Regulating Kinase 4: Structure, Function, and Regulation. Cell Biochemistry & Biophysics. 67(2):485-499.

Hassan MI, Saxena A and Ahmad F (2012) Structure and function of VWF, the Protein That is Deficient and/or Abnormal in Inherited VWD. Blood Coagulation & Fibrinolysis 23:11-22

Hassan, M.I., Aijaz A and Ahmad F. (2010). Structural and Functional Analysis of Human Prostatic Acid Phosphatase, a Prognostic Biomarker for Prostate Carcinoma. Expert Review of Anticancer Therapy 10: 1055-1068.

Hassan, M.I., Toor, A., Ahmad, F. (2010) Progastriscin: structure, function, and its role in tumor progression. Journal of Molecular Cell Biology 2, 118-27.

Hassan, M.I., Naiyer, A., Ahmad, F. Fragile histidine triad protein: structure, function, and its association with tumorogenesis. Journal of Cancer Research and Clinical Oncology 136, 333-50.

Kumar, V., Hassan, M.I., Singh, A.K., Dey, S., Singh, T.P. and Yadav, S. (2009) Strategy for sensitive and specific detection of molecular forms of PSA based on 2DE and kinetic analysis: a step towards diagnosis of prostate cancer. Clinica Chimica Acta 403: 17-22.

Kumar, V., Hassan, M.I., Tomar, A.K., Kashav, T., Nautiyal, J., Singh, S., Singh, T.P., Yadav, S. (2009) Proteomic analysis of heparin-binding proteins from human seminal plasma: a step towards identification of molecular markers of male fertility. Journal of Biosciences 34, 899-908.

Hassan, M. I., Waheed, A and Ahmad F. (2009) Prolactin Inducible protein in cancer, structure, functions and its clinical implications. Cellular and Molecular Life Sciences 66: 447-459.

Hassan, M. I., Kumar, V., Singh, T.P. and Yadav, S. (2008) Purification and Characterization of a Novel Complex of Zinc α2-glycoprotein and Prolactin Inducible Protein from. Human Seminal Plasma. Journal of Separation Science 31, 2318-2324.2.

Hassan, M. I., Waheed, A., Singh, T.P. Yadav, S. and Ahmad F. (2008) Zinc α2-glycoprotein is a multidisciplinary protein. Molecular Cancer Research 6: 892-906.

Hassan, M. I., Kumar, V., Bilgrami, S., Yadav, S., Kaur, P. And Singh, T.P. (2008) Crystal structure of a novel complex formed between Zinc α2-glycoprotein (ZAG) and Prolactin inducible protein (PIP) from human seminal plasma. Journal of Molecular Biology 384: 663–672.

Hassan, M. I., Kumar, V., Singh, T.P. and Yadav, S. (2008) Proteomic analysis of human amniotic fluid from Rh– Pregnancy. Prenatal Diagnosis 28, 102–108.

Hassan, M.I., Kumar, V., Somvanshi, R.K., Dey, S., Singh, T.P. and Yadav, S. (2007) Structure-guided design of peptidic ligand for human prostate specific antigen. Journal of Peptide Science 13, 849-855.

Hassan, M.I., Kumar, V., Singh, T.P. and Yadav, S. (2007) Structural model of human PSA: a target for prostate cancer therapy. Chemical Biology and Drug Design 70, 261-267.

Hassan, M.I.,Kumar, V., Kashav, T., Alam, N., Singh, T.P. and Yadav, S. (2007) Proteomic approach for purification of seminal plasma proteins involved in tumor proliferation. Journal of Separation Science 30, 1979-1988.

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