All Stories

  1. Machine Learning in Enhancing Protein Binding Sites Predictions - What Has Changed Since Then?

    Article • Combinatorial Chemistry & High Throughput Screening, June 2025, Bentham Science Publishers

    Dr Mahmoud Soliman

  2. Pharmacophore-based Identification of Potential Mutant Isocitrate Dehydrogenases I/2 Inhibitors: An Explorative Avenue in Cancer Drug Design

    Article • Anti-Cancer Agents in Medicinal Chemistry, May 2023, Bentham Science Publishers

    Dr Mahmoud Soliman

  3. Structural Insights into the Role of Pseudouridimycin Binding in Disruption of Bacterial RNA Polymerase Bridge Helix Conformational Arrangement

    Article • Current Pharmaceutical Biotechnology, March 2023, Bentham Science Publishers

    Dr Clement Agoni , Dr Mahmoud Soliman

  4. Comparative Dynamic Features of Apo and Bound MDM2 Protein Reveal the Mechanism of Inhibitor Recognition for Anti-Cancer Activity

    Article • Current Medicinal Chemistry, March 2023, Bentham Science Publishers

    Dr Mahmoud Soliman

  5. Elucidating the Dynamics and Selective Mechanistic Mode of Inhibition of a Novel Poly ADP-Ribose Polymerase-1 Inhibitor

    Article • Letters in Drug Design & Discovery, May 2022, Bentham Science Publishers

    Dr Mahmoud Soliman

  6. Computer-aided Structural and Molecular Insights into the Mechanisms by which Pseudouridimycin (PUM) Disrupts Cleft Extension in Bacterial RNA Polymerase to Block DNA Entry and Exit

    Article • Letters in Drug Design & Discovery, August 2021, Bentham Science Publishers

    Dr Mahmoud Soliman

  7. The Binding of Remdesivir to SARS-CoV-2 RNA-Dependent RNA Polymerase May Pave The Way Towards the Design of Potential Drugs for COVID-19 Treatment

    Article • Current Pharmaceutical Biotechnology, August 2021, Bentham Science Publishers

    Dr Clement Agoni , Dr Mahmoud Soliman

  8. Leveraging on Active Site Similarities; Identification of Potential Inhibitors of Zinc-Finger and UFSP domain Protein (ZUFSP)

    Article • Current Pharmaceutical Biotechnology, June 2021, Bentham Science Publishers

    Dr Mahmoud Soliman, Dr Adeniyi Thompson ADEWUMI

  9. In Silico Repurposing of J147 for Neonatal Encephalopathy Treatment: Exploring Molecular Mechanisms of Mutant Mitochondrial ATP Synthase

    Article • Current Pharmaceutical Biotechnology, December 2020, Bentham Science Publishers

    Dr Clement Agoni , Dr Mahmoud Soliman

  10. Novel drug culprit identified in CRPC aiming at CREB-Binding Protein: in silico experiment

    Article • Combinatorial Chemistry & High Throughput Screening, May 2020, Bentham Science Publishers

    Dr Mahmoud Soliman, oluwayimika akinsiku

  11. Integrating Bioinformatics Strategies In Cancer Immunotherapy: Current And Future Perspectives

    Article • Combinatorial Chemistry & High Throughput Screening, April 2020, Bentham Science Publishers

    Dr Mahmoud Soliman

  12. Zoning in on Tankyrases: A Brief Review on the Past, Present and Prospective Studies

    Article • Anti-Cancer Agents in Medicinal Chemistry, January 2020, Bentham Science Publishers

    Dr Clement Agoni , Dr Mahmoud Soliman

  13. Recruiting monomer for dimer formation: resolving the antagonistic mechanisms of novel immune check point inhibitors against Programmed Death Ligand-1 in cancer immunotherapy

    Article • Molecular Simulation, March 2019, Taylor & Francis

    Dr Mahmoud Soliman, Dr Clement Agoni

  14. From a computational point of view: deciphering the molecular synergism between oxidative stress-induced lipid peroxidation products and metabolic dysfunctionality of human liver mitochondrial aldehyde dehydrogenase-2

    Article • Molecular Simulation, February 2019, Taylor & Francis

    Dr Mahmoud Soliman

  15. Exploring the Lapse in Druggability: Sequence Analysis, Structural Dynamics and Binding Site Characterization of K-RasG12C Variant, a Feasible Oncotherapeutics Target

    Article • Anti-Cancer Agents in Medicinal Chemistry, December 2018, Bentham Science Publishers

    Dr Mahmoud Soliman

  16. Covalent simulations of covalent/irreversible enzyme inhibition in drug discovery

    Article • Future Medicinal Chemistry, October 2018, Future Science

    Dr Clement Agoni , Dr Mahmoud Soliman

  17. An update on the discovery and development of selective heat shock protein inhibitors as anti-cancer therapy

    Article • Expert Opinion on Drug Discovery, September 2018, Taylor & Francis

    Dr Clement Agoni , Dr Mahmoud Soliman

  18. Dynamic perspectives into the mechanisms of mutation-induced p53-DNA binding loss and inactivation using active perturbation theory: Structural and molecular insights toward the design of potent reactivators in cancer therapy

    Article • Journal of Cellular Biochemistry, August 2018, Wiley

    Dr Mahmoud Soliman

  19. Computational co-administration of Rifampin and a novel MTB RNAP inhibitor

    Article • Combinatorial Chemistry & High Throughput Screening, August 2018, Bentham Science Publishers

    Dr Mahmoud Soliman, Dr Clement Agoni

  20. Solving the riddle: Unraveling the mechanisms of blocking the binding of leukotoxin by therapeutic antagonists in periodontal diseases

    Article • Journal of Cellular Biochemistry, August 2018, Wiley

    Dr Mahmoud Soliman

  21. Covalent Inhibition in Drug Discovery: Filling the Void in Literature

    Article • Current Topics in Medicinal Chemistry, July 2018, Bentham Science Publishers

    Dr Clement Agoni , Dr Mahmoud Soliman

  22. A panoptic uncovering of the dynamical evolution of the Zika Virus NS5 methyltransferase binding site loops-zeroing in on the molecular landscape

    Article • Chemical Biology & Drug Design, July 2018, Wiley

    Dr Mahmoud Soliman

  23. A novel compound purified from Alstonia boonei inhibits Plasmodium falciparum Lactate dehydrogenase and Plasmepsin II

    Article • Journal of Biomolecular Structure and Dynamics, July 2018, Taylor & Francis

    Dr Olanlokun John Oludele, Dr Mahmoud Soliman, Thomas Idowu

  24. Co-inhibition as a strategic therapeutic approach to overcome rifampin resistance in tuberculosis therapy: atomistic insights

    Article • Future Medicinal Chemistry, June 2018, Future Science

    Dr Mahmoud Soliman, Dr Clement Agoni

  25. Reversible versus irreversible inhibition modes of ERK2: a comparative analysis for ERK2 protein kinase in cancer therapy

    Article • Future Medicinal Chemistry, April 2018, Future Science

    Dr Mahmoud Soliman

  26. Hybrid 2D/3D-quantitative structure–activity relationship and modeling studies perspectives of pepstatin A analogs as cathepsin D inhibitors

    Article • Future Medicinal Chemistry, December 2017, Future Science

    Dr Mahmoud Soliman

  27. From mutational inactivation to aberrant gain-of-function: Unraveling the structural basis of mutant p53 oncogenic transition

    Article • Journal of Cellular Biochemistry, December 2017, Wiley

    Dr Mahmoud Soliman

  28. The Identification of potential human rhinovirus inhibitors: exploring the binding landscape of HRV-3C protease through PRED pharmacophore screening

    Article • Future Virology, November 2017, Future Medicine

    Dr Mahmoud Soliman

  29. Quantum mechanics implementation in drug-design workflows: does it really help? [Corrigendum]

    Article • Drug Design Development and Therapy, November 2017, Dove Medical Press

    Ms Olayide Adebimpe Arodola, Dr Mahmoud Soliman

  30. Therapeutic, Molecular and Computational Aspects of Novel Monoamine Oxidase (MAO) Inhibitors

    Article • Combinatorial Chemistry & High Throughput Screening, October 2017, Bentham Science Publishers

    Dr Mahmoud Soliman

  31. Homology Modeling in Drug Discovery-an Update on the Last Decade

    Article • Letters in Drug Design & Discovery, August 2017, Bentham Science Publishers

    Dr Mahmoud Soliman

  32. Quantum mechanics implementation in drug-design workflows: does it really help?

    Article • Drug Design Development and Therapy, August 2017, Dove Medical Press

    Ms Olayide Adebimpe Arodola, Dr Mahmoud Soliman

  33. Zika virus NS5 protein potential inhibitors: an enhanced in silico approach in drug discovery

    Article • Journal of Biomolecular Structure and Dynamics, April 2017, Taylor & Francis

    Dr Mahmoud Soliman

  34. Metal complexes in cancer therapy – an update from drug design perspective

    Article • Drug Design Development and Therapy, March 2017, Dove Medical Press

    Dr Mahmoud Soliman, Dr Umar Umar Ndagi

  35. Potential Ebola drug targets – filling the gap: a critical step forward towards the design and discovery of potential drugs

    Article • Biologia, January 2017, De Gruyter

    Dr Mahmoud Soliman

  36. Ebola virus: A gap in drug design and discovery - experimental and computational perspective

    Article • Chemical Biology & Drug Design, October 2016, Wiley

    Dr Mahmoud Soliman

  37. Binding Free Energy-Based Footprint Pharmacophore Model to Enhance Virtual Screening and Drug Discovery: A Case on Glycosidases as Anti-influenza Drug Targets

    Article • Letters in Drug Design & Discovery, October 2016, Bentham Science Publishers

    Dr Mahmoud Soliman

  38. Cathepsin-D conformational study

    Article • Journal of Cellular Biochemistry, April 2016, Wiley

    Dr Mahmoud Soliman, Ms Olayide Adebimpe Arodola

  39. Per-residue energy decomposition pharmacophore model to enhance virtual screening in drug discovery: a study for identification of reverse transcriptase inhibitors as potential anti-HIV agents

    Article • Drug Design Development and Therapy, April 2016, Dove Medical Press

    Dr Mahmoud Soliman, DR shree ramesh

  40. Could the FDA-approved anti-HIV PR inhibitors be promising anticancer agents? An answer from enhanced docking approach and molecular dynamics analyses

    Article • Drug Design Development and Therapy, November 2015, Dove Medical Press

    Dr Mahmoud Soliman, Ms Olayide Adebimpe Arodola

  41. Anti-cancer Glycosidase Inhibitors from Natural Products: A Computational and Molecular Modelling Perspective

    Article • Anti-Cancer Agents in Medicinal Chemistry, August 2015, Bentham Science Publishers

    Dr Mahmoud Soliman

  42. Flap flexibility amongst plasmepsins I, II, III, IV, and V: Sequence, structural, and molecular dynamics analyses

    Article • Proteins Structure Function and Bioinformatics, August 2015, Wiley

    Dr Mahmoud Soliman

  43. Understanding the cross-resistance of oseltamivir to H1N1 and H5N1 influenza A neuraminidase mutations using multidimensional computational analyses

    Article • Drug Design Development and Therapy, July 2015, Dove Medical Press

    Dr Mahmoud Soliman

  44. Heat-Shock Protein 90 (Hsp90) as Anticancer Target for Drug Discovery: An Ample Computational Perspective

    Article • Chemical Biology & Drug Design, June 2015, Wiley

    Dr Mahmoud Soliman

  45. In Silico Identification of Irreversible Cathepsin B Inhibitors as Anti- Cancer Agents: Virtual Screening, Covalent Docking Analysis and Molecular Dynamics Simulations

    Article • Combinatorial Chemistry & High Throughput Screening, April 2015, Bentham Science Publishers

    Dr Mahmoud Soliman

  46. G-Protein Coupled Receptors (GPCRs): A Comprehensive Computational Perspective

    Article • Combinatorial Chemistry & High Throughput Screening, April 2015, Bentham Science Publishers

    Dr Mahmoud Soliman

  47. Flap dynamics of plasmepsin proteases: insight into proposed parameters and molecular dynamics

    Article • Molecular BioSystems, January 2015, Royal Society of Chemistry

    Dr Mahmoud Soliman

  48. Dynamics of the thumb-finger regions in a GH11 xylanase Bacillus circulans: comparison between the Michaelis and covalent intermediate

    Article • RSC Advances, January 2015, Royal Society of Chemistry

    Dr Mahmoud Soliman

  49. Identification of Novel GSK1070916 Analogs as Potential Aurora B Inhibitors: Insights from Molecular Dynamics and MM/GBSA Based Rescoring

    Article • Letters in Drug Design & Discovery, October 2014, Bentham Science Publishers

    Dr Mahmoud Soliman

  50. An integrated molecular dynamics, principal component analysis and residue interaction network approach reveals the impact of M184V mutation on HIV reverse transcriptase resistance to lamivudine

    Article • Molecular BioSystems, January 2014, Royal Society of Chemistry

    Dr Mahmoud Soliman

  51. QSAR Study on Diketo Acid and Carboxamide Derivatives as Potent HIV- 1 Integrase Inhibitor

    Article • Letters in Drug Design & Discovery, December 2013, Bentham Science Publishers

    Dr Mahmoud Soliman, Ms Olayide Adebimpe Arodola

  52. Mechanism of glycoside hydrolysis: A comparative QM/MM molecular dynamics analysis for wild type and Y69F mutant retaining xylanases

    Article • Organic & Biomolecular Chemistry, January 2009, Royal Society of Chemistry

    Dr Mahmoud Soliman

  53. Computational mutagenesis reveals the role of active-site tyrosine in stabilising a boat conformation for the substrate: QM/MM molecular dynamics studies of wild-type and mutant xylanases

    Article • Organic & Biomolecular Chemistry, January 2009, Royal Society of Chemistry

    Dr Mahmoud Soliman