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â–  Abbreviation / Long Form : LE / ligand efficiency

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Total Number of Papers: 117
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Abbreviation:   LE  (>> Co-occurring Abbreviation)
Long Form:   ligand efficiency
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No. Year Title Co-occurring Abbreviation
2020 Aberrant global and local efficiency of the executive subnetwork in essential tremor. ET
2020 Graph theory analysis of directed functional brain networks in major depressive disorder based on EEG signal. BC, dDCG, EEG, GE, MDD, PTE
2020 Insecticidal application of essential oils loaded polymeric nanoparticles to control German cockroach: Design, characterization and lethal/sublethal effects. EO, EOPN, PDI
2020 Lipophilic Metabolic Efficiency (LipMetE) and Drug Efficiency Indices to Explore the Metabolic Properties of the Substrates of Selected Cytochrome P450 Isoforms. CYP450, LipE, LipMetE
2020 Mesoporous Carbon Nanoparticles as Multi-functional Carriers for Cancer Therapy Compared with Mesoporous Silica Nanoparticles. CI, MCN, MSN
2019 Amino-carboxamide benzothiazoles as potential LSD1 hit inhibitors. Part I: Computational fragment-based drug design. BE, MCSS
2019 Anti-tumor Effect of Quercetin Loaded Chitosan Nanoparticles on Induced Colon Cancer in Wistar Rats. CS, DLS, DMH, DSS, FTIR, NPs, QU
2019 Biogenic Nanoparticle‒Chitosan Conjugates with Antimicrobial, Antibiofilm, and Anticancer Potentialities: Development and Characterization. AgNPs, C. arvensis, CHI, SEM, TEM, XRD
2019 Brain functional development separates into three distinct time periods in the first two years of life. GE
10  2019 Cheminformatics-driven discovery of polymeric micelle formulations for poorly soluble drugs. LC
11  2019 Computational approach to suggest a new multi-target-directed ligand as a potential medication for Alzheimer's disease. AChE, AD, DHZ, MD, MD-2, MTDL
12  2019 Effect of lactation trimester and parity on eating behavior, milk production and efficiency traits of dairy cows. DMI, ECM, HE, ME, RFI
13  2019 Enhanced Solubility and Bioavailability of Apigenin via Preparation of Solid Dispersions of Mesoporous Silica Nanoparticles. AP, AP-MSN, EE
14  2019 Halloysite-alkaline phosphatase system-A potential bioactive component of scaffold for bone tissue engineering. ALP, EE, Hal
15  2019 Ligand Potency, Efficiency and Drug-likeness: A Story of Intuition, Misinterpretation and Serendipity. ---
16  2019 Micro- and Nanostructures of Agave Fructans to Stabilize Compounds of High Biological Value via Electrohydrodynamic Processing. EE, HDPAF, TGA
17  2019 Microstructural white matter network-connectivity in individuals with psychotic disorder, unaffected siblings and controls. CC, DWI, GE, PANSS
18  2019 Modified connectivity of vulnerable brain nodes in multiple sclerosis, their impact on cognition and their discriminative value. CP, HV, MS, NS
19  2019 Pushing the Ligand Efficiency Metrics: Relative Group Contribution (RGC) Model as a Helpful Strategy to Promote a Fragment "Rescue" Effect. FBDD, RGC
20  2019 Reduction of personal PM2.5 exposure via indoor air filtration systems in Detroit: an intervention study. HE, HEPA, RAPIDS
21  2019 Relationship between feed efficiency indexes and performance, body measurements, digestibility, energy partitioning, and nitrogen partitioning in pre-weaning dairy heifers. BW, FE, HE, RFI, RIG
22  2019 Structure-Based Design and Synthesis of an Isozyme-Selective MTHFD2 Inhibitor with a Tricyclic Coumarin Scaffold. HTS, MTHFD2, SBDD
23  2019 Synthesis of new thiazolo-pyrrolidine-(spirooxindole) tethered to 3-acylindole as anticancer agents. LLE
24  2019 Targeting Ovarian Cancer Cells Overexpressing CD44 with Immunoliposomes Encapsulating Glycosylated Paclitaxel. gPTX-L, PTX
25  2019 Transient seizure onset network for localization of epileptogenic zone: effective connectivity and graph theory-based analyses of ECoG data in temporal lobe epilepsy. BC, CC, EZ, ffADTF, OD, SOZ
26  2018 3,5-Disubstituted-indole-7-carboxamides as IKKbeta Inhibitors: Optimization of Oral Activity via the C3 Substituent. NF-kappaB
27  2018 Brain functional connectivity in sleep-related hypermotor epilepsy. BC, CC, FC, GE, ICA, ND, SHE
28  2018 Effect of Portable Air Filtration Systems on Personal Exposure to Fine Particulate Matter and Blood Pressure Among Residents in a Low-Income Senior Facility: A Randomized Clinical Trial. BP, CV, HE, HEPA
29  2018 Experimentally Validated Pharmacoinformatics Approach to Predict hERG Inhibition Potential of New Chemical Entities. GRIND, LipE, NCEs, TdPs
30  2018 Phenotypically divergent classification of preweaned heifer calves for feed efficiency indexes and their correlations with heat production and thermography. FE, HE, HP, RFI, RG
31  2018 Present drug-likeness filters in medicinal chemistry during the hit and lead optimization process: how far can they be simplified? ---
32  2017 A New Approach to Antivenom Preparation Using Chitosan Nanoparticles Containing EchisCarinatus Venom as A Novel Antigen Delivery System. CS-NPs, EC, LC, PDI
33  2017 Between Descriptors and Properties: Understanding the Ligand Efficiency Trends for G Protein-Coupled Receptor and Kinase Structure-Activity Data Sets. GPCR, HAC
34  2017 Beware of ligand efficiency (LE): understanding LE data in modeling structure-activity and structure-economy relationships. BEI, HAC, MW
35  2017 Clear, Aqueous Topical Drop of Triamcinolone Acetonide. CMC, DoE, EE, HCEC, HCO-60, NMF, Oc-40, TA
36  2017 Development of silver nanoparticles loaded chitosan-alginate constructs with biomedical potentialities. AFM, EDS, HeLa, SEM, TEM, XRD
37  2017 Discovery of a B-Cell Lymphoma 6 Protein-Protein Interaction Inhibitor by a Biophysics-Driven Fragment-Based Approach. BCL6, PPI, SPR
38  2017 Large-Scale Network Analysis of Whole-Brain Resting-State Functional Connectivity in Spinal Cord Injury: A Comparative Study. GE, ROI, SCI
39  2017 Micro-Environmental Signature of The Interactions between Druggable Target Protein, Dipeptidyl Peptidase-IV, and Anti-Diabetic Drugs. EVHD
40  2017 Preparation and evaluation of BSA-based hydrosol nanoparticles cross-linked with genipin for oral administration of poorly water-soluble curcumin. BSA, CN, EE, GNP, GTA, NHD, NPs, RSM
41  2017 Review on the targeted conjugation of anticancer drugs doxorubicin and tamoxifen with synthetic polymers for drug delivery. 4-Hydroxytam, DOX, PEG, TAM, TEM
42  2017 Solubility and dissolution rate improvement of the inclusion complex of apigenin with 2-hydroxypropyl-beta-cyclodextrin prepared using the liquid antisolvent precipitation and solvent removal combination methods. AP, EE, HP-beta-CD, LAP
43  2017 Steroidogenic acute regulatory protein (StAR) gene expression construct: Development, nanodelivery and effect on reproduction in air-breathing catfish, Clarias batrachus. CNP, StAR
44  2017 Therapeutic Agents in Alzheimer's Disease Through a Multi-targetdirected Ligands Strategy: Recent Progress Based on Tacrine Core. AD, FDA, MTDLs
45  2017 Using Supercritical Fluid Technology (SFT) in Preparation of Tacrolimus Solid Dispersions. SFT
46  2016 ACFIS: a web server for fragment-based drug discovery. ACFIS, FBDD
47  2016 Benzimidazole-Based Quinazolines: In Vitro Evaluation, Quantitative Structure-Activity Relationship, and Molecular Modeling as Aurora Kinase Inhibitors. ---
48  2016 Clickable 4-Oxo-beta-lactam-Based Selective Probing for Human Neutrophil Elastase Related Proteomes. COPD, HNE, NBD
49  2016 Development of amphoteric alginate/aminated chitosan coated microbeads for oral protein delivery. BSA
50  2016 Discovery of potent, reversible MetAP2 inhibitors via fragment based drug discovery and structure based drug design-Part 2. FBDD, MetAP2
51  2016 Molecular inflation, attrition and the rule of five. LLE, Ro5
52  2016 SAR Exploration Guided by LE and Fsp(3): Discovery of a Selective and Orally Efficacious RORgamma Inhibitor. ---
53  2016 [Evaluation for preparation and anticancer efficacy in vitro of drug-loaded nanoerythrosomes]. EE
54  2015 Atom-Atom-Path similarity and Sphere Exclusion clustering: tools for prioritizing fragment hits. AAP, DISE
55  2015 Discovery of Novel Inhibitor Scaffolds against the Metallo-beta-lactamase VIM-2 by Surface Plasmon Resonance (SPR) Based Fragment Screening. MBL, SPR
56  2015 Formulation and characterization of microspheres loaded with imatinib for sustained delivery. DSC, PLGA
57  2015 Fragment and Structure-Based Drug Discovery for a Class C GPCR: Discovery of the mGlu5 Negative Allosteric Modulator HTL14242 (3-Chloro-5-[6-(5-fluoropyridin-2-yl)pyrimidin-4-yl]benzonitrile). ---
58  2015 Identification of ligand efficient, fragment-like hits from an HTS library: structure-based virtual screening and docking investigations of 2H- and 3H-pyrazolo tautomers for Aurora kinase A selectivity. HTS, LELP, MW
59  2015 Successful generation of structural information for fragment-based drug discovery. ---
60  2015 Transition dynamics of EEG-based network microstates during mental arithmetic and resting wakefulness reflects task-related modulations and developmental changes. ---
61  2015 [Preparation and anti-cancer activity in vitro of curcumin loaded mesoporous silica nanoparticle]. CUR, EE, MSN
62  2014 Discovery of selective 4-Amino-pyridopyrimidine inhibitors of MAP4K4 using fragment-based lead identification and optimization. MAP4K4
63  2014 Discovery of thienoquinolone derivatives as selective and ATP non-competitive CDK5/p25 inhibitors by structure-based virtual screening. ---
64  2014 Formation of activity cliffs is accompanied by systematic increases in ligand efficiency from lowly to highly potent compounds. ACs, SARs
65  2014 Insight into curcumin-loaded beta-lactoglobulin nanoparticles: incorporation, particle disintegration, and releasing profiles. BLG, SGF
66  2014 Ligand efficiency based approach for efficient virtual screening of compound libraries. EF, FQ, PH, VS
67  2014 Ligand efficiency-based support vector regression models for predicting bioactivities of ligands to drug target proteins. BEI, LLE, SEI, SVR
68  2014 pH sensitive N-succinyl chitosan grafted polyacrylamide hydrogel for oral insulin delivery. APS, EE, FT-IR, MBA, SEM, XRD
69  2014 Validity of ligand efficiency metrics. LLE
70  2014 Virtual fragment screening on GPCRs: a case study on dopamine D3 and histamine H4 receptors. ---
71  2013 Biophysical fragment screening of the beta1-adrenergic receptor: identification of high affinity arylpiperazine leads using structure-based drug design. beta1AR, SPR
72  2013 Discovery of novel and ligand-efficient inhibitors of Plasmodium falciparum and Plasmodium vivax N-myristoyltransferase. NMT, Pf, Pv
73  2013 Fragment-based Binding Efficiency Indices in Bioactive Molecular Design: A Computational Approach to BACE-1 Inhibitors. BACE-1, PDB, SBDD
74  2013 Identification of potent and selective cathepsin S inhibitors containing different central cyclic scaffolds. ---
75  2013 Inhibitors of HIV-1 attachment. Part 8: the effect of C7-heteroaryl substitution on the potency, and in vitro and in vivo profiles of indole-based inhibitors. ---
76  2013 Investigation of the influence of molecular topology on ligand binding. LELP, LLE
77  2013 Methotrexate-loaded chitosan nanogels as 'Trojan Horses' for drug delivery to brain: preparation and in vitro/in vivo characterization. LC, PDI
78  2013 Non-peptidic cruzain inhibitors with trypanocidal activity discovered by virtual screening and in vitro assay. SAR
79  2013 Novel soluble myeloid cell leukemia sequence 1 (Mcl-1) inhibitor (E,E)-2-(benzylaminocarbonyl)-3-styrylacrylonitrile (4g) developed using a fragment-based approach. BH3, Mcl-1, NMR
80  2013 Optimization of ligand and lipophilic efficiency to identify an in vivo active furano-pyrimidine Aurora kinase inhibitor. LipE
81  2013 Preparation of uniform-sized exenatide-loaded PLGA microspheres as long-effective release system with high encapsulation efficiency and bio-stability. EE, PLGA, SPG, T2DM
82  2013 Protective efficacy of PLGA microspheres loaded with divalent DNA vaccine encoding the ompA gene of Aeromonas veronii and the hly gene of Aeromonas hydrophila in mice. Hly, OmpA, SDS-PAGE
83  2013 The impact of preparation parameters on typical attributes of chitosan-heparin nanohydrogels: particle size, loading efficiency, and drug release. NP
84  2012 Discovery of triazolopyrimidine-based PDE8B inhibitors: exceptionally ligand-efficient and lipophilic ligand-efficient compounds for the treatment of diabetes. LLE, PDEs
85  2012 Enhancement of felodipine dissolution rate through its incorporation into Eudragit E-PHB polymeric microparticles: in vitro characterization and investigation of absorption in rats. PHB
86  2012 Fragment-based optimization of small molecule CXCL12 inhibitors for antagonizing the CXCL12/CXCR4 interaction. GPCR, sY
87  2012 Preparation and optimization of surface-treated methotrexate-loaded nanogels intended for brain delivery. LC, MTX, PDI, TPP
88  2012 Targeted delivery of insoluble cargo (paclitaxel) by PEGylated chitosan nanoparticles grafted with Arg-Gly-Asp (RGD). CMC, LLC, RES
89  2011 5-fluorouracil loaded fibrinogen nanoparticles for cancer drug delivery applications. 5-FU-FNPs
90  2011 Assessing the lipophilicity of fragments and early hits. FBDD
91  2011 Curcumin loaded fibrinogen nanoparticles for cancer drug delivery. AFM, CRC-FNPs, DLS, DTA, FT-IR, TG, XRD
92  2011 Design, synthesis, and qualitative structure-activity evaluations of novel beta-secretase inhibitors as potential Alzheimer's drug leads. ---
93  2011 Docking performance of fragments and druglike compounds. ---
94  2011 Identifying chelators for metalloprotein inhibitors using a fragment-based approach. 5-LO, FBLD, LF, MMPs, TY
95  2011 Novel isoquinolone PDK1 inhibitors discovered through fragment-based lead discovery. PDK1
96  2011 Preparation and characterization of nanoparticles based on hydrophobic alginate derivative as carriers for sustained release of vitamin D3. DS, LC, OAE, SGF, SIF
97  2011 Preparation and characterization of self-assembled nanoparticles based on folic acid modified carboxymethyl chitosan. DOX, FA, LA, LC
98  2011 Structure based drug design of crizotinib (PF-02341066), a potent and selective dual inhibitor of mesenchymal-epithelial transition factor (c-MET) kinase and anaplastic lymphoma kinase (ALK). ALK
99  2010 Bioactive mesopore-glass microspheres with controllable protein-delivery properties by biomimetic surface modification. BMSC, BSA, SBF
100  2010 [In-silico approaches for fragment-based drug design]. FBDD