Hafiz Saqib Ali

ScholarGPS® ID: 28374021323397

Affiliation

University of Manchester, Manchester, United Kingdom

Affiliation History

Field

Physical Sciences and Mathematics

Discipline

Chemistry

Top Specialties

Biosynthesis | Enzyme | Cytochrome P450 | Physical Chemistry

Metrics Summary

Publication Count

Predicted Citations

624

Predicted h-index

Ranking

Publications and Citation History

Publications based on Top Specialties

Types of Publication

Publications
Books
Patents
NIH/NSF

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QM/MM Study Into the Mechanism of Oxidative C=C Double Bond Cleavage by Lignostilbene‐α,β‐Dioxygenase (journal article) Ali, Hafiz Saqib \| de Visser, Sam P. Chemistry – A European Journal, volume 30, issue 24 (2024). 10.1002/chem.202304172 Cite \| Source
Catalytic divergencies in the mechanism of L-arginine hydroxylating nonheme iron enzymes (journal article) Ali, Hafiz Saqib \| de Visser, Sam P. Frontiers in Chemistry, volume 12 (2024). 10.3389/fchem.2024.1365494 Cited by (1) \| Cite \| Source
Identification of potential inhibitors targeting yellow fever virus helicase through ligand and structure-based computational studies (journal article) Zaib, Sumera \| Rana, Nehal \| Ali, Hafiz Saqib \| ur Rehman, Mujeeb \| Awwad, Nasser S. \| Ibrahium, Hala A. \| Khan, Imtiaz Journal of Biomolecular Structure and Dynamics (2023). 10.1080/07391102.2023.2294839 Cite \| Source
Discovery of druggable potent inhibitors of serine proteases and farnesoid X receptor by ligand-based virtual screening to obstruct SARS-CoV-2 (journal article) Zaib, Sumera \| Rana, Nehal \| Ali, Hafiz Saqib \| Hussain, Nadia \| Ogaly, Hanan A. \| Al-Zahrani, Fatimah A.M. \| Khan, Imtiaz International Journal of Biological Macromolecules, volume 253 (2023). 10.1016/j.ijbiomac.2023.127379 Cited by (2) \| Cite \| Source
Pyrimidine-morpholine hybrids as potent druggable therapeutics for Alzheimer’s disease: Synthesis, biochemical and in silico analyses (journal article) Zaib, Sumera \| Younas, Muhammad Tayyab \| Khan, Imtiaz \| Ali, Hafiz Saqib \| McAdam, Christopher John \| White, Jonathan M. \| Jaber, Fadi \| Awwad, Nasser S. \| Ibrahium, Hala A. Bioorganic Chemistry, volume 141 (2023). 10.1016/j.bioorg.2023.106868 Cited by (1) \| Cite \| Source
Energy-entropy multiscale cell correlation method to predict toluene–water log P in the SAMPL9 challenge (journal article) Ali, Hafiz Saqib \| Henchman, Richard H Physical Chemistry Chemical Physics, volume 25, issue 40, pages 27524-27531 (2023). 10.1039/D3CP03076H Cite \| Source
How Does the Nonheme Iron Enzyme NapI React through l -Arginine Desaturation Rather Than Hydroxylation? A Quantum Mechanics/Molecular Mechanics Study (journal article) Ali, Hafiz Saqib \| Warwicker, Jim \| de Visser, Sam P. ACS Catalysis, volume 13, issue 16, pages 10705-10721 (2023). 10.1021/acscatal.3c02262 Cited by (17) \| Cite \| Source
Computational and theoretical chemistry of newly synthesized and characterized 2,2’-(5,5’-(1,4-phenylene)bis(1H-tetrazole-5,1-diyl))bis-N-acetamides (journal article) Ejaz, Syeda Abida \| Farid, Aftab \| Zargar, Seema \| Channar, Pervaiz Ali \| Aziz, Mubashir \| Wani, Tanveer A. \| Attaullah, Hafiz Muhammad \| Ujhan, Rabail \| Tehzeeb, Arfa \| Saeed, Aamer \| ... \| Erben, Mauricio F. BMC Chemistry, volume 17, issue 1 (2023). 10.1186/s13065-023-01011-3 Cited by (4) \| Cite \| Source
A combined experimental and theoretical study of alkyl 2-(3-benzoyl-4-hydroxy-1,1-dioxido-2H-benzo[e][1,2]thiazin-2-yl)acetates: Synthesis, X-ray crystallography and DFT (journal article) Aslam, Sana \| Ali, Hafiz Saqib \| Ahmad, Matloob \| Mansha, Asim \| Ali, Narmeen \| Khan, Sana \| Naqvi, Syed Ali Raza \| Khalid, Zunera \| Asim, Sadia \| Parvez, Masood \| Khalid, Muhammad Journal of Molecular Structure, volume 1258 (2022). 10.1016/j.molstruc.2022.132671 Cited by (5) \| Cite \| Source
Electrostatic Perturbations in the Substrate‐Binding Pocket of Taurine/α‐Ketoglutarate Dioxygenase Determine its Selectivity (journal article) Ali, Hafiz Saqib \| de Visser, Sam P. Chemistry – A European Journal, volume 28, issue 9 (2022). 10.1002/chem.202104167 Cited by (41) \| Cite \| Source
Biodegradation of Herbicides by a Plant Nonheme Iron Dioxygenase: Mechanism and Selectivity of Substrate Analogues (journal article) Lin, Yen‐Ting \| Ali, Hafiz S. \| de Visser, Sam P. Chemistry – A European Journal, volume 28, issue 7 (2022). 10.1002/chem.202103982 Cited by (6) \| Cite \| Source
Local Charge Distributions, Electric Dipole Moments, and Local Electric Fields Influence Reactivity Patterns and Guide Regioselectivities in α-Ketoglutarate-Dependent Non-heme Iron Dioxygenases (journal article) de Visser, Sam P. \| Mukherjee, Gourab \| Ali, Hafiz Saqib \| Sastri, Chivukula V. Accounts of Chemical Research, volume 55, issue 1, pages 65-74 (2022). 10.1021/acs.accounts.1c00538 Cited by (54) \| Cite \| Source
Rhodanine-3-acetamide derivatives as aldose and aldehyde reductase inhibitors to treat diabetic complications: synthesis, biological evaluation, molecular docking and simulation studies (journal article) Bacha, Mohsinul Mulk \| Nadeem, Humaira \| Zaib, Sumera \| Sarwar, Sadia \| Imran, Aqeel \| Rahman, Shafiq Ur \| Ali, Hafiz Saqib \| Arif, Muazzam \| Iqbal, Jamshed BMC Chemistry, volume 15, issue 1 (2021). 10.1186/s13065-021-00756-z Cited by (12) \| Cite \| Source
Energy–entropy method using multiscale cell correlation to calculate binding free energies in the SAMPL8 host–guest challenge (journal article) Ali, Hafiz Saqib \| Chakravorty, Arghya \| Kalayan, Jas \| de Visser, Samuel P. \| Henchman, Richard H. Journal of Computer-Aided Molecular Design, volume 35, issue 8, pages 911-921 (2021). 10.1007/s10822-021-00406-5 Cited by (11) \| Cite \| Source
Mechanism of Oxidative Ring‐Closure as Part of the Hygromycin Biosynthesis Step by a Nonheme Iron Dioxygenase (journal article) Ali, Hafiz Saqib \| Henchman, Richard H. \| de Visser, Sam P. ChemCatChem, volume 13, issue 13, pages 3054-3066 (2021). 10.1002/cctc.202100393 Cited by (17) \| Cite \| Source
Negative catalysis / non-Bell-Evans-Polanyi reactivity by metalloenzymes: Examples from mononuclear heme and non-heme iron oxygenases (journal article) de Visser, Sam P. \| Lin, Yen-Ting \| Ali, Hafiz Saqib \| Bagha, Umesh Kumar \| Mukherjee, Gourab \| Sastri, Chivukula V. Coordination Chemistry Reviews, volume 439 (2021). 10.1016/j.ccr.2021.213914 Cited by (44) \| Cite \| Source
Theoretical and computational insight into the supramolecular assemblies of Schiff bases involving hydrogen bonding and C H…π interactions: Synthesis, X-ray characterization, Hirshfeld surface analysis, anticancer activity and molecular docking analysis (journal article) Andleeb, Hina \| Danish, Lubna \| Munawar, Shiza \| Ahmed, Muhammad Naeem \| Khan, Imtiaz \| Ali, Hafiz Saqib \| Tahir, Muhammad Nawaz \| Simpson, Jim \| Hameed, Shahid Journal of Molecular Structure, volume 1235 (2021). 10.1016/j.molstruc.2021.130223 Cited by (12) \| Cite \| Source
Electrostatic Perturbations from the Protein Affect C−H Bond Strengths of the Substrate and Enable Negative Catalysis in the TmpA Biosynthesis Enzyme (journal article) Lin, Yen‐Ting \| Ali, Hafiz Saqib \| de Visser, Sam P. Chemistry – A European Journal, volume 27, issue 34, pages 8851-8864 (2021). 10.1002/chem.202100791 Cited by (23) \| Cite \| Source
Glutarate Hydroxylation by the Carbon Starvation-Induced Protein D: A Computational Study into the Stereo- and Regioselectivities of the Reaction (journal article) Han, Sungho Bosco \| Ali, Hafiz Saqib \| de Visser, Sam P. Inorganic Chemistry, volume 60, issue 7, pages 4800-4815 (2021). 10.1021/acs.inorgchem.0c03749 Cited by (14) \| Cite \| Source
Structure-based virtual screening of dipeptidyl peptidase 4 inhibitors and their in vitro analysis (journal article) Rahman, Shafiq Ur \| Ali, Hafiz Saqib \| Jafari, Behzad \| Zaib, Sumera \| Hameed, Abdul \| Al-Kahraman, Yasser M.S.A \| Langer, Peter \| Iqbal, Jamshed Computational Biology and Chemistry, volume 91 (2021). 10.1016/j.compbiolchem.2020.107326 Cited by (6) \| Cite \| Source