| Fragment-based design, docking, synthesis, biological evaluation and structure–activity relationships of 2-benzo/benzisothiazolimino-5-aryliden-4-thiazolidinones as … P Eleftheriou, A Geronikaki, D Hadjipavlou-Litina, P Vicini, O Filz, ... European journal of medicinal chemistry 47, 111-124, 2012 | 98 | 2012 |
| Novel Carbamates as Orally Active Acetylcholinesterase Inhibitors Found to Improve Scopolamine-Induced Cognition Impairment: Pharmacophore-Based Virtual Screening, Synthesis … SS Chaudhaery, KK Roy, N Shakya, G Saxena, SR Sammi, A Nazir, ... Journal of medicinal chemistry 53 (17), 6490-6505, 2010 | 98 | 2010 |
| Antimalarial naphthoquinones. Synthesis via click chemistry, in vitro activity, docking to PfDHODH and SAR of lapachol-based compounds GC Brandão, FCR Missias, LM Arantes, LF Soares, KK Roy, RJ Doerksen, ... European journal of medicinal chemistry 145, 191-205, 2018 | 90 | 2018 |
| Novel, potent, orally bioavailable and selective mycobacterial ATP synthase inhibitors that demonstrated activity against both replicating and non-replicating M. tuberculosis S Singh, KK Roy, SR Khan, VK Kashyap, A Sharma, S Jaiswal, ... Bioorganic & Medicinal Chemistry, 2015 | 72 | 2015 |
| An investigation of structurally diverse carbamates for acetylcholinesterase (AChE) inhibition using 3D-QSAR analysis KK Roy, A Dixit, AK Saxena Journal of Molecular Graphics and Modelling 27 (2), 197-208, 2008 | 64 | 2008 |
| Consensus superiority of the pharmacophore-based alignment, over maximum common substructure (MCS): 3D-QSAR studies on carbamates as acetylcholinesterase inhibitors SS Chaudhaery, KK Roy, AK Saxena Journal of chemical information and modeling 49 (6), 1590-1601, 2009 | 60 | 2009 |
| Targeting the active sites of malarial proteases for antimalarial drug discovery: approaches, progress and challenges KK Roy International Journal of Antimicrobial Agents 50 (3), 287-302, 2017 | 58 | 2017 |
| Synthesis and biological evaluation of substituted 4-arylthiazol-2-amino derivatives as potent growth inhibitors of replicating Mycobacterium tuberculosis KK Roy, S Singh, SK Sharma, R Srivastava, V Chaturvedi, AK Saxena Bioorganic & medicinal chemistry letters 21 (18), 5589-5593, 2011 | 58 | 2011 |
| Activation of the γ-Aminobutyric Acid Type B (GABAB) Receptor by Agonists and Positive Allosteric Modulators: Miniperspective KM Brown, KK Roy, GH Hockerman, RJ Doerksen, DA Colby Journal of medicinal chemistry 58 (16), 6336-6347, 2015 | 55 | 2015 |
| Lead optimization studies towards the discovery of novel carbamates as potent AChE inhibitors for the potential treatment of Alzheimer’s disease KK Roy, S Tota, T Tripathi, S Chander, C Nath, AK Saxena Bioorganic & medicinal chemistry 20 (21), 6313-6320, 2012 | 46 | 2012 |
| Negative Allosteric Modulators of Cannabinoid Receptor 2: Protein Modeling, Binding Site Identification and Molecular Dynamics Simulations in the Presence of an Orthosteric Agonist P Pandey, KK Roy, RJ Doerksen Journal of Biomolecular Structure and Dynamics 38 (1), 32-47, 2020 | 44 | 2020 |
| Biological evaluation of novel substituted chloroquinolines targeting mycobacterial ATP synthase SR Khan, S Singh, KK Roy, MS Akhtar, AK Saxena, MY Krishnan International journal of antimicrobial agents 41 (1), 41-46, 2013 | 43 | 2013 |
| Substituted 1, 2, 3, 4-tetrahydroquinolin-6-yloxypropanes as β3-adrenergic receptor agonists: Design, synthesis, biological evaluation and pharmacophore modeling N Shakya, KK Roy, AK Saxena Bioorganic & medicinal chemistry 17 (2), 830-847, 2009 | 43 | 2009 |
| Selective cannabinoid 2 receptor stimulation reduces tubular epithelial cell damage after renal ischemia-reperfusion injury JD Pressly, SM Mustafa, AH Abidi, S Alghamdi, P Pandey, KK Roy, ... The Journal of pharmacology and experimental therapeutics 364 (2), 287-299, 2018 | 39 | 2018 |
| Identification and characterisation of small-molecule inhibitors of Rv3097c-encoded lipase (LipY) of Mycobacterium tuberculosis that selectively inhibit growth of bacilli in … AK Saxena, KK Roy, S Singh, SP Vishnoi, A Kumar, VK Kashyap, ... International journal of antimicrobial agents 42 (1), 27-35, 2013 | 37 | 2013 |
| Profiling the structural determinants for the selectivity of representative factor-Xa and thrombin inhibitors using combined ligand-based and structure-based approaches SS Bhunia, KK Roy, AK Saxena Journal of chemical information and modeling 51 (8), 1966-1985, 2011 | 37 | 2011 |
| Synthesis and Anti-Renal Fibrosis Activity of Conformationally Locked Truncated 2-Hexynyl-N6-Substituted-(N)-Methanocarba-nucleosides as A3 Adenosine … A Nayak, G Chandra, I Hwang, K Kim, X Hou, HO Kim, PK Sahu, KK Roy, ... Journal of Medicinal Chemistry 57 (4), 1344-1354, 2014 | 28 | 2014 |
| Structural basis for the β-adrenergic receptor subtype selectivity of the representative agonists and antagonists KK Roy, AK Saxena Journal of chemical information and modeling 51 (6), 1405-1422, 2011 | 26 | 2011 |
| Machine learning-enabled predictive modeling to precisely identify the antimicrobial peptides MA Wani, P Garg, KK Roy Medical & Biological Engineering & Computing 59, 2397–2408, 2021 | 22 | 2021 |
| Emerging Opportunities of Exploiting Mycobacterial Electron Transport Chain Pathway for Drug-Resistant Tuberculosis Drug Discovery KK Roy, MA Wani Expert Opinion on Drug Discovery 15 (2), 231-241, 2020 | 21 | 2020 |
Robert J. DoerksenProfessor of Medicinal Chemistry, University of MississippiVerified email at olemiss.edu