| Exploiting the role of molecular electrostatic potential, deformation density, topology, and energetics in the characterization of S··· N and Cl··· N supramolecular motifs in … I Khan, P Panini, SUD Khan, UA Rana, H Andleeb, D Chopra, S Hameed, ... Crystal Growth & Design 16 (3), 1371-1386, 2016 | 79 | 2016 |
| Identification of novel pyrazole–rhodanine hybrid scaffolds as potent inhibitors of aldose reductase: design, synthesis, biological evaluation and molecular docking analysis H Andleeb, Y Tehseen, SJA Shah, I Khan, J Iqbal, S Hameed RSC advances 6 (81), 77688-77700, 2016 | 43 | 2016 |
| X-ray characterization, Hirshfeld surface analysis, DFT calculations, in vitro and in silico lipoxygenase inhibition (LOX) studies of dichlorophenyl substituted 3-hydroxy … MN Ahmed, M Ghias, SWA Shah, M Shoaib, MN Tahir, M Ashfaq, ... New Journal of Chemistry 45 (42), 19928-19940, 2021 | 23 | 2021 |
| A comparative experimental and theoretical investigation of hydrogen-bond, halogen-bond and π–π interactions in the solid-state supramolecular assembly of 2-and 4-formylphenyl … H Andleeb, I Khan, A Bauzá, MN Tahir, J Simpson, S Hameed, A Frontera Acta Crystallographica Section C: Structural Chemistry 74 (7), 816-829, 2018 | 23 | 2018 |
| Quinolinic carboxylic acid derivatives as potential multi-target compounds for neurodegeneration: monoamine oxidase and cholinesterase inhibition NA Khan, I Khan, S Abid, S Zaib, A Ibrar, H Andleeb, S Hameed, J Iqbal Medicinal Chemistry 14 (1), 74-85, 2018 | 20 | 2018 |
| Exploration of thioxothiazolidinone–sulfonate conjugates as a new class of aldehyde/aldose reductase inhibitors: A synthetic and computational investigation H Andleeb, Y Tehseen, F Jabeen, I Khan, J Iqbal, S Hameed Bioorganic Chemistry 75, 1-15, 2017 | 19 | 2017 |
| Synthesis and molecular docking studies of 5-acetyl-2-(arylidenehydrazin-1-yl)-4-methyl-1, 3-thiazoles as α-amylase inhibitors H Mehmood, M Haroon, T Akhtar, S Woodward, H Andleeb Journal of Molecular Structure 1250, 131807, 2022 | 15 | 2022 |
| Diverse structural assemblies of U-shaped hydrazinyl-sulfonamides: experimental and theoretical analysis of non-covalent interactions stabilizing solid state conformations H Andleeb, I Khan, A Franconetti, MN Tahir, J Simpson, S Hameed, ... CrystEngComm 21 (11), 1780-1793, 2019 | 15 | 2019 |
| Theoretical and computational insight into the supramolecular assemblies of Schiff bases involving hydrogen bonding and CH… π interactions: Synthesis, X-ray characterization … H Andleeb, L Danish, S Munawar, MN Ahmed, I Khan, HS Ali, MN Tahir, ... Journal of Molecular Structure 1235, 130223, 2021 | 14 | 2021 |
| Selective agonists and antagonists of α9 versus α7 nicotinic acetylcholine receptors RL Papke, H Andleeb, C Stokes, M Quadri, NA Horenstein ACS chemical neuroscience 13 (5), 624-637, 2022 | 12 | 2022 |
| Probing the high potency of pyrazolyl pyrimidinetriones and thioxopyrimidinediones as selective and efficient non-nucleotide inhibitors of recombinant human ectonucleotidases H Andleeb, S Hameed, SA Ejaz, I Khan, S Zaib, J Lecka, J Sevigny, ... Bioorganic Chemistry 88, 102893, 2019 | 12 | 2019 |
| Synthesis and supramolecular self-assembly of thioxothiazolidinone derivatives driven by H-bonding and diverse π–hole interactions: a combined experimental and theoretical analysis H Andleeb, I Khan, A Bauza, MN Tahir, J Simpson, S Hameed, A Frontera Journal of Molecular Structure 1139, 209-221, 2017 | 12 | 2017 |
| Synthesis, X-ray characterization, Hirshfeld surface analysis and DFT calculations on tetrazolyl-phenol derivatives: H-bonds vs C–H… π/π… π interactions A Bibi, I Khan, H Andleeb, J Simpson, MN Tahir, S Hameed, A Frontera Journal of Molecular Structure 1227, 129425, 2021 | 11 | 2021 |
| Interplay of weak noncovalent interactions in alkoxybenzylidene derivatives of benzohydrazide and acetohydrazide: a combined experimental and theoretical investigation and … MN Ahmed, M Arif, H Andleeb, SWA Shah, I Arshad, MN Tahir, M Rocha, ... CrystEngComm 23 (4), 955-971, 2021 | 11 | 2021 |
| Synthesis and computational studies of highly selective inhibitors of human recombinant tissue non-specific alkaline phosphatase (h-TNAP): A therapeutic target against vascular … H Andleeb, M Hussain, SA Ejaz, J Sevigny, M Farman, M Yasinzai, ... Bioorganic Chemistry 101, 103999, 2020 | 9 | 2020 |
| Exploring weak intermolecular interactions in two bis-1, 3, 4-oxadiazoles derivatives: A combined X-ray diffraction, Hirshfeld surface analysis and theoretical studies MN Ahmed, K Nadeem, H Andleeb, M Sheikhi, Z Majeed, SWA Shah, ... Journal of Molecular Structure 1232, 130030, 2021 | 8 | 2021 |
| Supramolecular assembly involving weak hydrogen bonds, anti-parallel π··· π stacking and O··· C tetrel bonding interactions and LOX studies in a 1H-pyrazol-1-yl) thiazole-4 … MN Ahmed, H Andleeb, AM Fahim, M Madni, SW Khan, B Kaboudin, ... Journal of Molecular Structure 1296, 136908, 2024 | 7 | 2024 |
| Crystal engineering with 1, 3, 4-oxadiazole derivatives: on the importance of CH⋯ N and CH⋯ π interactions MN Ahmed, M Akhtar, H Andleeb, MA Bashir, MAA Ibrahim, PA Sidhom, ... CrystEngComm 25 (48), 6710-6718, 2023 | 3 | 2023 |
| Ethyl 6-(4-cyclopropyl-1H-1, 2, 3-triazol-1-yl) pyridine-3-carboxylate MN Ahmed, KA Yasin, MN Tahir, A Bibi, H Andleeb Acta Crystallographica Section E: Structure Reports Online 70 (2), o136-o136, 2014 | 1 | 2014 |
| Explorations of Agonist Selectivity for the α9* nAChR with Novel Substituted Carbamoyl/Amido/Heteroaryl Dialkylpiperazinium Salts and Their Therapeutic Implications in Pain and … H Andleeb, RL Papke, C Stokes, K Richter, SM Herz, K Chiang, ... Journal of Medicinal Chemistry, 2024 | | 2024 |
