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Macrocycles In New Drug Discovery

https://doi.org/10.4155/fmc.12.93

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inferred← citeshttps://doi.org/10.1002/chem.201602332openalex-snapshot

Harnessing C−H Activation of Benzhydroxamates as a Macrocyclization Strategy: Synthesis of Structurally Diverse Macrocyclic Isoquinolones

inferred← citeshttps://doi.org/10.1002/chem.201605615openalex-snapshot

Ring‐Expansion Approach to Medium‐Sized Lactams and Analysis of Their Medicinal Lead‐Like Properties

inferred← citeshttps://doi.org/10.1002/chem.201703209openalex-snapshot

MacroEvoLution: A New Method for the Rapid Generation of Novel Scaffold‐Diverse Macrocyclic Libraries

inferred← citeshttps://doi.org/10.1002/chem.201900620openalex-snapshot

Synthesis and Analysis of Natural‐Product‐Like Macrocycles by Tandem Oxidation/Oxa‐Conjugate Addition Reactions

inferred← citeshttps://doi.org/10.1002/chem.201900813openalex-snapshot

Total Synthesis, Stereochemical Revision, and Biological Assessment of Iriomoteolide‐2a

inferred← citeshttps://doi.org/10.1002/chem.202005425openalex-snapshot

Fluorinated Rings: Conformation and Application

inferred← citeshttps://doi.org/10.1002/chem.202202798openalex-snapshot

Going Viral: An Investigation into the Chameleonic Behaviour of Antiviral Compounds

inferred← citeshttps://doi.org/10.1002/chem.202402664openalex-snapshot

Cyclization by Intramolecular Suzuki‐Miyaura Cross‐Coupling–A Review

inferred← citeshttps://doi.org/10.1002/chem.202404207openalex-snapshot

Stereodivergent Macrocyclization in Dynamic Chiral Confinement

inferred← citeshttps://doi.org/10.1002/cjoc.201900316openalex-snapshot

Design and Synthesis of a Series of Novel Macrocycle Janus Kinase 2 Inhibitors

inferred← citeshttps://doi.org/10.1002/cmdc.201500572openalex-snapshot

Hitting a Moving Target: How Does an N‐Methyl Group Impact Biological Activity?

inferred← citeshttps://doi.org/10.1002/cmdc.201600595openalex-snapshot

How Selective are Hsp90 Inhibitors for Cancer Cells over Normal Cells?

inferred← citeshttps://doi.org/10.1002/cmdc.201700478openalex-snapshot

Computational Macrocyclization: From de novo Macrocycle Generation to Binding Affinity Estimation

inferred← citeshttps://doi.org/10.1002/cmdc.201800075openalex-snapshot

Cytotoxic Activity and Structure–Activity Relationship of Triazole‐Containing Bis(Aryl Ether) Macrocycles

inferred← citeshttps://doi.org/10.1002/cphc.201700995openalex-snapshot

Interconversion Rates between Conformational States as Rationale for the Membrane Permeability of Cyclosporines

inferred← citeshttps://doi.org/10.1002/ddr.21775openalex-snapshot

Macrocyclic sulfone derivatives: Synthesis, characterization, in vitro biological evaluation and molecular docking

inferred← citeshttps://doi.org/10.1002/ejoc.201801839openalex-snapshot

Ceramide‐Templated Macrolactams: Total Synthesis and Biological Evaluation of Macrocyclic α‐Galactosylceramide Analogues and their Aglycons

inferred← citeshttps://doi.org/10.1002/ejoc.202100195openalex-snapshot

A Diversity‐Oriented Approach to Large Libraries of Artificial Macrocycles

inferred← citeshttps://doi.org/10.1002/ejoc.202101516openalex-snapshot

Sustainable Mechanosynthesis of Biologically Active Molecules

inferred← citeshttps://doi.org/10.1002/ejoc.202300028openalex-snapshot

Synthesis and Applications of Peptides and Peptidomimetics in Drug Discovery

inferred← citeshttps://doi.org/10.1002/med.21377openalex-snapshot

Strategies for the Optimization of Natural Leads to Anticancer Drugs or Drug Candidates

inferred← citeshttps://doi.org/10.1002/med.21503openalex-snapshot

Recent advances in the discovery and development of factor XI/XIa inhibitors

inferred← citeshttps://doi.org/10.1002/minf.201400040openalex-snapshot

Drug‐Like ProteinProtein Interaction Modulators: Challenges and Opportunities for Drug Discovery and Chemical Biology

inferred← citeshttps://doi.org/10.1002/minf.202300287openalex-snapshot

The macrocycle inhibitor landscape of SLC‐transporter

inferred← citeshttps://doi.org/10.1002/mog2.50openalex-snapshot

Applications of macrocyclic molecules in cancer therapy: Target cancer development or overcome drug resistance

inferred← citeshttps://doi.org/10.1002/nano.202100368openalex-snapshot

Mechanically interlocked molecular architectures of valinomycin as cancer targeted prodrugs

inferred← citeshttps://doi.org/10.1002/pep2.24044openalex-snapshot

Development of a solid‐phase traceless‐Ugi multicomponent reaction for backbone anchoring and cyclic peptide synthesis

inferred← citeshttps://doi.org/10.1002/pep2.24064openalex-snapshot

Apelins, ELABELA, and their derivatives: Peptidic regulators of the cardiovascular system and beyond

inferred← citeshttps://doi.org/10.1002/psc.2716openalex-snapshot

A simple protocol for combinatorial cyclic depsipeptide libraries sequencing by matrix-assisted laser desorption/ionisation mass spectrometry

inferred← citeshttps://doi.org/10.1002/psc.3471openalex-snapshot

Opening the amino acid toolbox for peptide‐based NTS2‐selective ligands as promising lead compounds for pain management

inferred← citeshttps://doi.org/10.1002/slct.201700701openalex-snapshot

Derivatives of Dapsone (dap): Synthesis and Study on In Vitro Anticancer Activity and DNA Laddering Against Hep G2 and C6 Human Cancer Cell Lines

inferred← citeshttps://doi.org/10.1002/slct.201702296openalex-snapshot

Derivatives of 4, 4’‐Oxydianiline Show Distinct In Vitro Cytotoxicity, Apoptosis Induction, and Selectivity against HepG2 Cancer Cells

inferred← citeshttps://doi.org/10.1002/slct.201900938openalex-snapshot

Improving Cytotoxicity by Changing a Linker from Diphenylether to Diphenylmethane and now to Phenylene in Binuclear Dithiocarbamate Complexes: Synthesis and Cytotoxicity Study

inferred← citeshttps://doi.org/10.1002/slct.202100206openalex-snapshot

Applications of Yamaguchi Method to Esterification and Macrolactonization in Total Synthesis of Bioactive Natural Products

inferred← citeshttps://doi.org/10.1002/slct.202102715openalex-snapshot

Facile Synthesis of the Shape‐Persistent 4‐Hydroxybenzaldehyde Based Macrocycles and Exploration of their Key Electronic Properties: An Experimental and DFT Approach

inferred← citeshttps://doi.org/10.1002/slct.202201831openalex-snapshot

Synthesis of Dibenzo‐Fused 15‐Membered Dioxa‐ketone Macrocycles through Ring‐Closing Metathesis Reaction

inferred← citeshttps://doi.org/10.1002/slct.202201956openalex-snapshot

Cyclopeptides Natural Products as Herbicides and Inhibitors of Cyanobacteria: Synthesis of Versicotides E and F

inferred← citeshttps://doi.org/10.1002/smll.202411476openalex-snapshot

From Membrane Composition to Antimicrobial Strategies: Experimental and Computational Approaches to AMP Design and Selectivity

inferred← citeshttps://doi.org/10.1002/tcr.201800047openalex-snapshot

Organocatalytic Asymmetric Cascade Reactions Based on Gamma‐Nitro Carbonyl Compound

inferred← citeshttps://doi.org/10.1002/tcr.70212openalex-snapshot

Enantioselective Construction of Bridged Biaryl Atropisomers With Medium‐ and Macrocyclic Architectures

inferred← citeshttps://doi.org/10.1007/978-1-0716-1689-5_1openalex-snapshot

Three Methods for Peptide Cyclization Via Lactamization

inferred← citeshttps://doi.org/10.1007/978-1-0716-2285-8_20openalex-snapshot

Discovery of Cyclic Peptide Binders from Chemically Constrained Yeast Display Libraries

inferred← citeshttps://doi.org/10.1007/978-3-319-29773-6_5openalex-snapshot

Synthesis of Quinoxaline Macrocycles

inferred← citeshttps://doi.org/10.1007/978-981-95-2525-6_44openalex-snapshot

Design of Macrocyclic Drugs

inferred← citeshttps://doi.org/10.1007/s00044-019-02424-3openalex-snapshot

Macrocyclic effect on inhibitory activity: a modeling study on MerTK inhibitors

inferred← citeshttps://doi.org/10.1007/s00044-020-02614-4openalex-snapshot

Polyether macrocyclic polyketide from the muricid gastropod Chicoreus ramosus attenuates pro-inflammatory 5-lipoxygenase

inferred← citeshttps://doi.org/10.1007/s00044-022-02846-6openalex-snapshot

Ellipyrones A-B, from oval bone cuttlefish Sepia elliptica: Antihyperglycemic γ-pyrone enclosed macrocyclic polyketides attenuate dipeptidyl peptidase-4 and carbolytic enzymes

inferred← citeshttps://doi.org/10.1007/s00894-019-4077-5openalex-snapshot

Predicting the bioactive conformations of macrocycles: a molecular dynamics-based docking procedure with DynaDock

inferred← citeshttps://doi.org/10.1007/s10822-020-00277-2openalex-snapshot

Conformational analysis of macrocycles: comparing general and specialized methods

inferred← citeshttps://doi.org/10.1007/s10847-015-0496-9openalex-snapshot

Structural conversion of a cyclic d-Penicillaminato tripalladium(II) complex by pyridine or 2-pyridinethiol

inferred← citeshttps://doi.org/10.1007/s10847-017-0695-7openalex-snapshot

The effects of macrocyclic dinaphtho diamide on the oxidative states and stimulating the CSF production on lung tissue and colony formation of bone marrow cells

inferred← citeshttps://doi.org/10.1007/s10847-021-01110-5openalex-snapshot

Studies on cobalt(III) complexes of a cyanoethyl derivative of an isomeric hexamethyl tetraazamacrocyclic ligand

inferred← citeshttps://doi.org/10.1007/s10895-026-04824-2openalex-snapshot

Fluorescent Chalcone-Based Macrocyclic Crown Ether as a Multifunctional Platform for Dye Removal and Antibacterial Activity: Synthesis, Characterization, and Docking Insights

inferred← citeshttps://doi.org/10.1007/s11172-021-3219-yopenalex-snapshot

Synthesis of phosphonates immobilized on a polycyclic platform and conjugated with triazole moieties

inferred← citeshttps://doi.org/10.1016/b978-0-08-099420-8.00004-3openalex-snapshot

Step IIIb: The Drug-Like Chemical Diversity Pool: Diverse and Targeted Compound Collections

inferred← citeshttps://doi.org/10.1016/b978-0-12-409547-2.12294-2openalex-snapshot

Future of Medicinal Chemistry: Next-Generation Therapeutics

inferred← citeshttps://doi.org/10.1016/b978-0-12-800171-4.00002-0openalex-snapshot

Quinoxaline Macrocycles

inferred← citeshttps://doi.org/10.1016/b978-0-443-23932-8.00004-2openalex-snapshot

Discovery of lead compounds from pseudo-natural macrocycles enabled by modular biomimetic strategy

inferred← citeshttps://doi.org/10.1016/b978-0-443-23932-8.00005-4openalex-snapshot

Macrocyclization strategy in kinase drug discovery

inferred← citeshttps://doi.org/10.1016/b978-0-443-36542-3.00008-6openalex-snapshot

One-group disconnections: alkanes, ethers, thioethers, secondary and tertiary amines

inferred← citeshttps://doi.org/10.1016/bs.armc.2023.10.001openalex-snapshot

Chemical evolution of natural product structure for drug discovery

inferred← citeshttps://doi.org/10.1016/bs.pmch.2015.11.001openalex-snapshot

The Evolving Role of the Medicinal Chemist

inferred← citeshttps://doi.org/10.1016/j.aca.2014.12.023openalex-snapshot

Fabrication of novel coated pyrolytic graphite electrodes for the selective nano-level monitoring of Cd2+ ions in biological and environmental samples using polymeric membrane of newly synthesized macrocycle

inferred← citeshttps://doi.org/10.1016/j.addr.2016.03.013openalex-snapshot

Cell permeability beyond the rule of 5

inferred← citeshttps://doi.org/10.1016/j.apsb.2022.09.022openalex-snapshot

Harnessing the cyclization strategy for new drug discovery

inferred← citeshttps://doi.org/10.1016/j.apsb.2025.04.021openalex-snapshot

Unraveling the therapeutic landscape of approved non-peptide macrocycles

inferred← citeshttps://doi.org/10.1016/j.apsb.2025.10.028openalex-snapshot

Structure-guided design of picomolar-level macrocyclic TRPC5 channel inhibitors with antidepressant activity

inferred← citeshttps://doi.org/10.1016/j.bioorg.2023.106740openalex-snapshot

Discovery of novel resorcinol biphenyl ether-based macrocyclic small molecules as PD-1/PD-L1 inhibitors with favorable pharmacokinetics for cancer immunotherapy

inferred← citeshttps://doi.org/10.1016/j.bioorg.2024.107361openalex-snapshot

Synthesis, structural, multitargeted molecular docking analysis of anti-cancer, anti-tubercular, DNA interactions of benzotriazole based macrocyclic ligand

inferred← citeshttps://doi.org/10.1016/j.bioorg.2024.107905openalex-snapshot

Discovery of novel Macrocyclic small molecules Based on 2-Amino-4-thiazolylpyridineas selective EGFR inhibitors with high Blood-Brain barrier penetration for the treatment of glioblastoma

inferred← citeshttps://doi.org/10.1016/j.bioorg.2025.108190openalex-snapshot

A perspective on the application of macrocyclic design strategies in antitumor drugs

inferred← citeshttps://doi.org/10.1016/j.biopha.2021.111861openalex-snapshot

Pharmacodynamic and pharmacokinetic profiles of a neurotensin receptor type 2 (NTS2) analgesic macrocyclic analog

inferred← citeshttps://doi.org/10.1016/j.bmc.2014.11.034openalex-snapshot

Improving the passive permeability of macrocyclic peptides: Balancing permeability with other physicochemical properties

inferred← citeshttps://doi.org/10.1016/j.bmc.2017.02.060openalex-snapshot

A novel complexity-to-diversity strategy for the diversity-oriented synthesis of structurally diverse and complex macrocycles from quinine

inferred← citeshttps://doi.org/10.1016/j.bmc.2019.115143openalex-snapshot

Modelling the binding mode of macrocycles: Docking and conformational sampling

inferred← citeshttps://doi.org/10.1016/j.bmc.2021.116399openalex-snapshot

Computational studies of molecular pre-organization through macrocyclization: Conformational distribution analysis of closely related non-macrocyclic and macrocyclic analogs

inferred← citeshttps://doi.org/10.1016/j.bmc.2022.116614openalex-snapshot

Structural modification aimed for improving solubility of lead compounds in early phase drug discovery

inferred← citeshttps://doi.org/10.1016/j.bmc.2022.117049openalex-snapshot

Design, synthesis and antitumor efficacy evaluation of a series of novel β-elemene-based macrocycles

inferred← citeshttps://doi.org/10.1016/j.bmc.2024.117846openalex-snapshot

Discovery of macrocyclic covalent inhibitors for severe acute respiratory syndrome coronavirus 2 3CL protease

inferred← citeshttps://doi.org/10.1016/j.bmc.2025.118265openalex-snapshot

Design, synthesis and structure-activity relationship studies of novel macrocyclic 2,4-diaminopyrimidines as HPK1 inhibitors

inferred← citeshttps://doi.org/10.1016/j.bmcl.2016.06.075openalex-snapshot

Synthesis and antibacterial evaluation of macrocyclic diarylheptanoid derivatives

inferred← citeshttps://doi.org/10.1016/j.bmcl.2021.127847openalex-snapshot

Structure, solubility, and permeability relationships in a diverse middle molecule library

inferred← citeshttps://doi.org/10.1016/j.bmcl.2021.127923openalex-snapshot

Novel pyrazolo[4,3-d]pyrimidine microtubule targeting agents (MTAs): Synthesis, structure–activity relationship, in vitro and in vivo evaluation as antitumor agents

inferred← citeshttps://doi.org/10.1016/j.bmcl.2022.128874openalex-snapshot

Design, synthesis, and bioactivity evaluation of macrocyclic benzo[b]pyrido[4,3-e][1,4]oxazine derivatives as novel Pim-1 kinase inhibitors

inferred← citeshttps://doi.org/10.1016/j.bmcl.2022.128887openalex-snapshot

Synthesis of a tricyclic hexapeptide –via two consecutive ruthenium-catalyzed macrocyclization steps– with a constrained topology to mimic vancomycin's binding properties toward D-Ala-D-Ala dipeptide

inferred← citeshttps://doi.org/10.1016/j.bone.2018.03.027openalex-snapshot

Hypoxia-selective allosteric destabilization of activin receptor-like kinases: A potential therapeutic avenue for prophylaxis of heterotopic ossification

inferred← citeshttps://doi.org/10.1016/j.cbpa.2015.02.004openalex-snapshot

DNA-encoded chemical libraries of macrocycles

inferred← citeshttps://doi.org/10.1016/j.cbpa.2016.06.006openalex-snapshot

Ribosome-mediated synthesis of natural product-like peptides via cell-free translation

inferred← citeshttps://doi.org/10.1016/j.cbpa.2017.03.011openalex-snapshot

Targeting intracellular protein–protein interactions with cell-permeable cyclic peptides

inferred← citeshttps://doi.org/10.1016/j.cbpa.2017.04.012openalex-snapshot

Cyclic peptide natural products chart the frontier of oral bioavailability in the pursuit of undruggable targets

inferred← citeshttps://doi.org/10.1016/j.cclet.2016.04.024openalex-snapshot

Recent progress of on-resin cyclization for the synthesis of clycopeptidomimetics

inferred← citeshttps://doi.org/10.1016/j.cclet.2021.10.043openalex-snapshot

Natural scaffolds-inspired synthesis of CF3-substituted macrolides enabled by Rh-catalyzed C–H alkylation macrocyclization

inferred← citeshttps://doi.org/10.1016/j.cclet.2024.109574openalex-snapshot

Asymmetric macrocyclization enabled by Rh(III)-catalyzed C H activation: Enantioenriched macrocyclic inhibitor of Zika virus infection

inferred← citeshttps://doi.org/10.1016/j.ccr.2024.216007openalex-snapshot

Coordination polymers with exo-coordinated unsubstituted macrocycles: Structure, properties, future perspectives and design guidelines

inferred← citeshttps://doi.org/10.1016/j.cdc.2020.100427openalex-snapshot

Crystal structure and hirshfeld surface analysis of 1, 2, 3, triazole bridged pyrrolizidine grafted macrocycle

inferred← citeshttps://doi.org/10.1016/j.cdc.2024.101169openalex-snapshot

Stereo selective total synthesis of (3R),(5R)-5‑hydroxy-de-O-methyllasiodiplodin

inferred← citeshttps://doi.org/10.1016/j.chembiol.2014.08.013openalex-snapshot

Oral Druggable Space beyond the Rule of 5: Insights from Drugs and Clinical Candidates

inferred← citeshttps://doi.org/10.1016/j.chemphyslip.2022.105257openalex-snapshot

Synthetic star shaped tetra-tailed biocompatible supramolecular amphiphile as an efficient nanocarrier for Amphotericin B

inferred← citeshttps://doi.org/10.1016/j.csbj.2024.08.008openalex-snapshot

cPEPmatch Webserver: A comprehensive tool and database to aid rational design of cyclic peptides for drug discovery

inferred← citeshttps://doi.org/10.1016/j.drudis.2017.05.013openalex-snapshot

Industrial medicinal chemistry insights: neuroscience hit generation at Janssen

inferred← citeshttps://doi.org/10.1016/j.ejmech.2014.10.065openalex-snapshot

A review on recent developments of indole-containing antiviral agents

inferred← citeshttps://doi.org/10.1016/j.ejmech.2014.11.067openalex-snapshot

Benzenediol lactones: a class of fungal metabolites with diverse structural features and biological activities

inferred← citeshttps://doi.org/10.1016/j.ejmech.2015.01.014openalex-snapshot

Peptide therapeutics: Targeting the undruggable space

inferred← citeshttps://doi.org/10.1016/j.ejmech.2018.08.086openalex-snapshot

Boronic ester-linked macrocyclic lipopeptides as serine protease inhibitors targeting Escherichia coli type I signal peptidase

inferred← citeshttps://doi.org/10.1016/j.ejmech.2018.12.072openalex-snapshot

Exploration of novel macrocyclic dipeptide N-benzyl amides as proteasome inhibitors

inferred← citeshttps://doi.org/10.1016/j.ejmech.2020.112770openalex-snapshot

Optimization of pyrazolo[1,5-a]pyrimidines lead to the identification of a highly selective casein kinase 2 inhibitor

inferred← citeshttps://doi.org/10.1016/j.ejmech.2021.113530openalex-snapshot

A cyclic peptide inhibitor of the SARS-CoV-2 main protease

inferred← citeshttps://doi.org/10.1016/j.ejmech.2022.114941openalex-snapshot

Synthesis and structure-activity relationship studies of original cyclic diadenosine derivatives as nanomolar inhibitors of NAD kinase from pathogenic bacteria

inferred← citeshttps://doi.org/10.1016/j.ejmech.2022.115035openalex-snapshot

Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential

inferred← citeshttps://doi.org/10.1016/j.ejmech.2023.115475openalex-snapshot

Small-molecule LRRK2 inhibitors for PD therapy: Current achievements and future perspectives

inferred← citeshttps://doi.org/10.1016/j.ejmech.2024.116234openalex-snapshot

Macrocycles and macrocyclization in anticancer drug discovery: Important pieces of the puzzle

inferred← citeshttps://doi.org/10.1016/j.ejmech.2024.116501openalex-snapshot

Macrocyclization strategy for improving candidate profiles in medicinal chemistry

inferred← citeshttps://doi.org/10.1016/j.ejmech.2024.117168openalex-snapshot

Chemical dissection of selective myeloid leukemia-1 inhibitors: How they were found and evolved

inferred← citeshttps://doi.org/10.1016/j.ejmech.2025.118348openalex-snapshot

Pyrazolo[1,5-a]pyrimidine scaffold-based small molecules: From bench to FDA-approved TRK kinase inhibitors (Part 1)

inferred← citeshttps://doi.org/10.1016/j.ejmech.2025.118499openalex-snapshot

Advances in novel modification strategies for enhancing the tumor tissue specificity of PROTACs

inferred← citeshttps://doi.org/10.1016/j.isci.2026.117598openalex-snapshot

Development of proteome-derived cyclic peptide libraries via ortho-phthalaldehyde-assisted cyclization

inferred← citeshttps://doi.org/10.1016/j.jhepr.2022.100651openalex-snapshot

Selective disruption of NRF2-KEAP1 interaction leads to NASH resolution and reduction of liver fibrosis in mice

inferred← citeshttps://doi.org/10.1016/j.molstruc.2025.144910openalex-snapshot

Host-guest chemistry: Novel macrocyclic crown chalcone- ether hybrids; Design, synthesis, characterization, biological evaluations, molecular docking and color removal application

inferred← citeshttps://doi.org/10.1016/j.rechem.2023.101089openalex-snapshot

An efficient approach for the total synthesis of sumalactone A

inferred← citeshttps://doi.org/10.1016/j.tet.2013.05.060openalex-snapshot

Template-induced macrocycle diversity through large ring-forming alkylations of tryptophan

inferred← citeshttps://doi.org/10.1016/j.tet.2014.11.009openalex-snapshot

Palladium-catalysed macrocyclisations in the total synthesis of natural products

inferred← citeshttps://doi.org/10.1016/j.tet.2026.135391openalex-snapshot

Biselyngbyaside family of marine cytotoxic macrolides: Synthetic strategies, structure-activity relationships, and mechanistic insights into anticancer activity

inferred← citeshttps://doi.org/10.1016/j.tetlet.2015.03.081openalex-snapshot

An efficient click-multicomponent strategy for the diversity oriented synthesis of 15–18 membered macrocyclic peptidomimetic fluorophores

inferred← citeshttps://doi.org/10.1016/j.tetlet.2016.11.046openalex-snapshot

EDC/DMAP-mediated direct condensation of dicarboxylic acids and diols: A concise synthesis of extra large polyether macrocyclic lactones and their X-ray structures

inferred← citeshttps://doi.org/10.1016/j.tetlet.2017.07.059openalex-snapshot

Ring opening of benzoxazinones: An improved and efficient synthesis of clavatustides A & B

inferred← citeshttps://doi.org/10.1016/j.tibs.2019.03.007openalex-snapshot

Targeting Lipoprotein Biogenesis: Considerations towards Antimicrobials

inferred← citeshttps://doi.org/10.1016/j.xphs.2018.11.001openalex-snapshot

Quantification of Intracellular Accumulation and Retention of Lysosomotropic Macrocyclic Compounds by High-Throughput Imaging of Lysosomal Changes

inferred← citeshttps://doi.org/10.1017/qrd.2022.18openalex-snapshot

Performance evaluation of flexible macrocycle docking in AutoDock

inferred← citeshttps://doi.org/10.1017/qrd.2022.18.pr1openalex-snapshot

Review: Performance evaluation of flexible macrocycle docking in AutoDock — R0/PR1

inferred← citeshttps://doi.org/10.1017/qrd.2022.18.pr2openalex-snapshot

Review: Performance evaluation of flexible macrocycle docking in AutoDock — R0/PR2

inferred← citeshttps://doi.org/10.1017/qrd.2022.18.pr3openalex-snapshot

Recommendation: Performance evaluation of flexible macrocycle docking in AutoDock — R0/PR3

inferred← citeshttps://doi.org/10.1017/qrd.2022.18.pr4openalex-snapshot

Recommendation: Performance evaluation of flexible macrocycle docking in AutoDock — R1/PR4

inferred← citeshttps://doi.org/10.1021/acs.accounts.5c00914openalex-snapshot

Visible-Light-Mediated aza Paternò–Büchi Reactions and Related Cycloadditions for the Formation of Azetidines and Azetines

inferred← citeshttps://doi.org/10.1021/acs.analchem.0c00191openalex-snapshot

Separating Isomers, Conformers, and Analogues of Cyclosporin using Differential Mobility Spectroscopy, Mass Spectrometry, and Hydrogen–Deuterium Exchange

inferred← citeshttps://doi.org/10.1021/acs.analchem.5c01494openalex-snapshot

Cell Permeability and Target Engagement of Middle-Sized Molecules Quantified by In-Cell NMR

inferred← citeshttps://doi.org/10.1021/acs.analchem.9b02100openalex-snapshot

Conformational Preference of Macrocycles Investigated by Ion-Mobility Mass Spectrometry and Distance Geometry Modeling

inferred← citeshttps://doi.org/10.1021/acs.cgd.4c00638openalex-snapshot

Development of Glecaprevir: Conformations, Crystal Structures, and Efficient Solid–Solid Conversion for a Highly Polymorphic Macrocyclic Drug

inferred← citeshttps://doi.org/10.1021/acs.chemrev.0c00648openalex-snapshot

Drug Design Strategies to Avoid Resistance in Direct-Acting Antivirals and Beyond

inferred← citeshttps://doi.org/10.1021/acs.chemrev.0c01096openalex-snapshot

Carbonyl–Olefin Metathesis

inferred← citeshttps://doi.org/10.1021/acs.chemrev.3c00158openalex-snapshot

Electrochemical Late-Stage Functionalization

inferred← citeshttps://doi.org/10.1021/acs.chemrev.5b00056openalex-snapshot

Macrocyclization Reactions: The Importance of Conformational, Configurational, and Template-Induced Preorganization

inferred← citeshttps://doi.org/10.1021/acs.chemrev.8b00807openalex-snapshot

Crystal Structures of Protein-Bound Cyclic Peptides

inferred← citeshttps://doi.org/10.1021/acs.chemrev.9b00063openalex-snapshot

Comprehensive Structure–Activity Relationship Studies of Macrocyclic Natural Products Enabled by Their Total Syntheses

inferred← citeshttps://doi.org/10.1021/acs.chemrev.9b00084openalex-snapshot

Strategies for the Diversity-Oriented Synthesis of Macrocycles

inferred← citeshttps://doi.org/10.1021/acs.jcim.0c00161openalex-snapshot

Scope of 3D Shape-Based Approaches in Predicting the Macromolecular Targets of Structurally Complex Small Molecules Including Natural Products and Macrocyclic Ligands

inferred← citeshttps://doi.org/10.1021/acs.jcim.0c01038openalex-snapshot

Benchmark of Generic Shapes for Macrocycles

inferred← citeshttps://doi.org/10.1021/acs.jcim.2c00436openalex-snapshot

Dynamic Docking of Macrocycles in Bound and Unbound Protein Structures with DynaDock

inferred← citeshttps://doi.org/10.1021/acs.jcim.2c00809openalex-snapshot

Membrane Permeating Macrocycles: Design Guidelines from Machine Learning

inferred← citeshttps://doi.org/10.1021/acs.jcim.3c00563openalex-snapshot

High-Quality Conformer Generation with CONFORGE: Algorithm and Performance Assessment

inferred← citeshttps://doi.org/10.1021/acs.jcim.3c01123openalex-snapshot

Addressing Challenges of Macrocyclic Conformational Sampling in Polar and Apolar Solvents: Lessons for Chameleonicity

inferred← citeshttps://doi.org/10.1021/acs.jcim.4c01576openalex-snapshot

MacGen: A Web Server for Structure-Based Macrocycle Design

inferred← citeshttps://doi.org/10.1021/acs.jcim.6b00091openalex-snapshot

Molecular Dynamics Simulations Elucidate Conformational Dynamics Responsible for the Cyclization Reaction in TEAS

inferred← citeshttps://doi.org/10.1021/acs.jcim.6b00251openalex-snapshot

Kinetic Models of Cyclosporin A in Polar and Apolar Environments Reveal Multiple Congruent Conformational States

inferred← citeshttps://doi.org/10.1021/acs.jcim.6b00443openalex-snapshot

Docking of Macrocycles: Comparing Rigid and Flexible Docking in Glide

inferred← citeshttps://doi.org/10.1021/acs.jcim.6c01285openalex-snapshot

Toward the Engineering of Chameleonicity: Quantum Mechanical Prediction for the Octanol/Water Distributions of Large Flexible Triazine Macrocycles

inferred← citeshttps://doi.org/10.1021/acs.jcim.7b00355openalex-snapshot

Ligand Strain and Entropic Effects on the Binding of Macrocyclic and Linear Inhibitors: Molecular Modeling of Penicillopepsin Complexes

inferred← citeshttps://doi.org/10.1021/acs.jcim.8b00485openalex-snapshot

Rationalization of the Membrane Permeability Differences in a Series of Analogue Cyclic Decapeptides

inferred← citeshttps://doi.org/10.1021/acs.jctc.7b00885openalex-snapshot

Accurate and Reliable Prediction of the Binding Affinities of Macrocycles to Their Protein Targets

inferred← citeshttps://doi.org/10.1021/acs.jmedchem.0c01500openalex-snapshot

Automated Design of Macrocycles for Therapeutic Applications: From Small Molecules to Peptides and Proteins

inferred← citeshttps://doi.org/10.1021/acs.jmedchem.0c01569openalex-snapshot

Mining Natural Products for Macrocycles to Drug Difficult Targets

inferred← citeshttps://doi.org/10.1021/acs.jmedchem.0c01726openalex-snapshot

Design, Structural Optimization, and Characterization of the First Selective Macrocyclic Neurotensin Receptor Type 2 Non-opioid Analgesic

inferred← citeshttps://doi.org/10.1021/acs.jmedchem.0c02036openalex-snapshot

Modulation of the Passive Permeability of Semipeptidic Macrocycles: N- and C-Methylations Fine-Tune Conformation and Properties

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