ACS Fall 2020 Virtual Meeting

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.

American Chemical Society

General Posters

Discovery of pan RAF inhibitors CTCKS15 and CTCKS16 for treatment of resistant melanoma

Mechanism of action studies of phenotypic whole-cell active antimalarial leads: Identifying new targets for malaria eradication

Extraction, isolation and characterization of bioactive compounds from the seeds of Piper guineese

Effective chromatographic scale-up considerations

Bacterial inhibition with liposoluble extracts from Padina gymnospora

Carborane - containing α-sulfone hydroxamate MMP inhibitors for Boron Neutron Capture Therapy (BNCT) in cancer treatment

Optimization of novel mOR ligands for enhanced CNS penetration

Bioavailable dual-protein degraders of CK1α and transcriptional kinase CDK9 as potential therapeutics for hematological malignancies

Control of the µ-opioid receptor efficacy in vitro and in vivo by novel conformationally restricted cyclopropane carboxamide-derived cis/trans isomers

Design, synthesis and evaluation of 1-indanone and 1,3-indandione derivatives as novel ligands for misfolded alpha-synuclein aggregates

Lipophilic modifications of sulfabenzamide against tuberculosis

DNA encoded chemistry for hit identification of small molecule drug discovery

Targeting hematological malignancies with two functionally and mechanistically distinct classes of cereblon-mediated protein homeostatic modulators

Discovery of universal inhibitors to prevent the aggregation and toxicity of both amyloid-β and hIAPP

Design, synthesis and structure-activity relationships of agonists for the proinflammatory lipid-activated G protein-coupled receptor GPR84

One potentiator that disables antibiotic resistance in MRSA, MRSE, MDR P. aeruginosa, E. Coli, and Klebsiella pneumoniae, and also in their biofilms

Dioxotriazine derivatives as a new class of P2X3 receptor antagonists Part 1: Identification of a lead and initial SAR studies

Synthesis of small molecules that induce quorum sensing in Lactobacillus acidophilus

Single step synthesis of azetidin-3-amines

Dioxotriazine derivatives as a new class of P2X3 receptor antagonists Part 2: Discovery of clinical candidate S-600918

Design and synthesis of DapE inhibitors as potential antibiotics

Structure manipulations on aliphatic hydroxyl group(s) of flavonolignans increase the antiproliferative potency and selectivity towards LNCaP prostate cancer cells

Diversity-oriented library synthesis: Late-stage transformations of the 4-oxo-2-butenamide scaffold

Discovery of pan RAF inhibitor CTCKS161 that evade paradoxical activation through inhibition of K-RAS and H-RAS for treatment of resistant melanoma

Multi-analytical method of pesticides from meat using LC/MSMS

Achiral derivatives of hydroxamate AR-42 potently inhibit HDAC1 and cancer cell proliferation

PET imaging techniques of epidermal growth factor receptor

Identifying key odor compounds in bourbon using solvent-free aroma dilution analysis and a novel software for interpreting GC-O data

Development of tetrahydroisoquinoline-containing CXCR4 antagonists with improved pharmacokinetic and anti-tumor properties in preclinical mouse models

Immunomodulatory effects of Loranthus micranthus in human breast cancer cells: Involvement of indoleamine 2,3-dioxygenase-1 via JAK/STAT and NF-kB-dependent pathways

Targeted co-delivery of Stevia-myricetin prodrug and dexamethasone in lactoferrin nanomicelles to hepatocellular carcinoma

New inhibitors of human tyrosinase and melanogenesis

Novel benzimidazole-phenolic mannich base antiplasmodium agents: Synthesis, pharmacological evaluation and stability studies in liver microsomes

Mechanism-based toxicity screening of natural compounds based on high-throughput approaches

Development and characterization of novel probes to elucidate the role of ubiquitin c terminal hydrolase L1 in cancer biology

Synthesis of novel vitamin K analogues mimiced the side chain structure of retinoic acid and evaluation of their neuronal differentiation-inducing activity

Small molecues targeting aberrant Ca2+ homeostasis are β-cells protective and normalize blood glucose in animal models of diabetes

Predictive gastrointestinal absorption and brain penetration models - custom models in MOEsaic

Protocol for validating small molecule structure assignment using calculated 13C NMR chemical shifts with quantum mechanics and MOE

Detection and speciation of arcobacter bacteria using Raman spectroscopy

Conformation determination using NMR data

Structure-based predictions of CYP selectivity, reactivity, and regioselectivity

MOEsaic: Application of matched molecular pair analysis to SAR exploration

Dietary exposure assessment for volatile N-nitrosamines from processed meat products for the U.S. population

Hypoxia-responsive bovine exosomes as a carrier for anticancer drugs

Synthesis and biological evaluation of new classes of Aza- and Oxo-isocephalosprorins

Saturated farnesol derivative prevents horizontal gene transfer by inhibiting type IV pili of pseudomonas aeruginosa without detectable resistance

Studying the cellular penetration and DNA binding of quinazolinedione human type I topoisomerase inhibitors developed for anticancer activity

Synthesis and evaluation of [18F]Psa351: A candidate radioligand for PET imaging of brain microsomal prostaglandin E synthase-1 receptor

Correlation between the intercellular antioxidant activities and chemical structure changes of decapeptide IVTNWDDMEK-Ribose Maillard reaction conjugates

Nontraditional benzoic acid surrogates: The design of spiro[3.3]hept-5-ene-2-carboxylic acid as a benzoic acid bioisostere and its application as an HIV-1 maturation inhibitor

Synthesis of 2-aminooxazole inhibitors targeting kinase STK-16

Synthesis of inhibitors of cathepsin B as a treatment for anthrax and Ebola

Therapeutics targeting the iron acquision systems of E. coli for the treatment of urinary tract infections

Synthesis of benzoxazole inhibitors targeting kinase CK2

Fragment based discovery of potent ERK2 pyrrolopyrazine inhibitors

Gc-ms characterization of isolated alkaloid fractions of mucana puriens and annona senegalensis leaves

Pharmacological characterization of naturally occurring and synthetic kratom alkaloids for improved alcohol use disorder therapeutics

Discovery of the first potent and selective αvβ5 integrin inhibitor based on an amide-containing core

Synthesis of 5′-nor-isoneplanocin analogues as antiviral agents

Selenosulfides as versatile, electrophilic triggers for H2S detection and imaging

Non-hydrolysable GlcNAc-pCXYp-UBP analogues to probe phosphoglycosyl transferase (PGT) structure and function

Design and synthesis of EGCG analogs for the treatment of colon cancer

Eco-friendly strategy for mitigating microplastic pollution in agricultural soils using earthworms

High potency psoralen derivatives

Allosteric activators of SERCA2b inhibit neuron loss and improve memory in an animal model of Alzheimer's disease

Design, synthesis, SAR study, and biological investigation of novel N-substituted benzamide enaminones as potential anticonvulsant agents

Vaccine-driven pharmacodynamic dissection of ketamine psychoactivity

Radiofluorination of the TSPO ligand [18F]PK14105 using a diarylselenone precursor

Novel development of an amperometric biosensor for serum cholesterol level determination

Discovery and syntheses of three high-affinity trifluoromethylated [11C]ER176 analogs for PET imaging of TSPO in monkey in vivo

Efficient analytical methods to identify lipid oxidation in dairy products

Developing DL5055 as an enhancer for cyclophosphamide-based chemotherapeutics

Identification of aroma-active compounds in pea proteins

Bacterial inhibition with liposoluble extracts of pennyroyal

YW2065 with dual activities of Wnt/β-catenin inhibition and AMPK activation for colorectal cancer

Black raspberry phytochemicals and anti-inflammatory effect in vitro

Design, synthesis, and biological evaluation of multitarget inhibitors as a promising therapeutic strategy for the treatment of chronic pain

Design, synthesis and biological evaluation of new vascular disrupting agents for the tratment of osteoarthritis

Antibody fragment drug conjugates (FDCs): Overcoming the challenges of treating solid tumours

Impact of plastic package and storage on off-flavors in fluid milk and cream

Structure-guided design of potent inhibitors of wild-type and baloxavir-resistant variant influenza RNA-dependent RNA polymerase (iRdRp)

Biological evaluation of cruentaren A analogs

Identification of mitochondrial RNA polymerase inhibitors via deep convolutional neural networks: A therapeutic strategy for cancer metabolism

Generalized, multistep model of bioactivation and reactivity of drugs

Anti-inflammatory properties of blackberry phenolic and volatile compounds

Discovery of potent and selective non-steroidal glucocorticoid receptor antagonists

Characterization of clearance and metabolism of asthma candidate MIDD0301 by mass spectrometry

Repurposing zafirlukast as an allosteric inhibitor against West Nile virus NS2B-NS3 protease

Informed ligand design through automation of common ideation workflows and protein-ligand complex visualizations

SAR–based meta drug strategy: Design and total synthesis of novel S1P1 modulators for autoimmune disease and ALI/ARDS treatment

Glycosylated PACAP hormones as potential therapy for Parkinsonism, stroke and traumatic brain injury

Chemical synthesis of azetidinone, naturally occurring β-lactam antibiotics

Comparison of the binding affinity of four flavins with riboflavin binding protein using fluorescence spectrometry and computational methods

1,2,3-Triazolyl β-amino acids for LAT1-mediated drug delivery

Chemoinformatics approach for target identification using chemical similarity networks

Novel thiocolchicine–vitamin B conjugate for tumor-targeting drug delivery

Synthesis, identification, and preclinical characterization of NSC-801845 as a new chemotherapeutic agent for the treatment of cancer

Novel "click"-ready pH-triggered phosphoramidate linker for controlled-release of cytotoxic payloads

Development of small-molecule-based probes for the vitamin D receptor

General Posters

No video is available

Discovery of pan RAF inhibitors CTCKS15 and CTCKS16 for treatment of resistant melanoma