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Article ; Online: Learning from the Past: Possible Urgent Prevention and Treatment Options for Severe Acute Respiratory Infections Caused by 2019-nCoV.

Morse, Jared S / Lalonde, Tyler / Xu, Shiqing / Liu, Wenshe R

ChemRxiv : the preprint server for chemistry

2020

Abstract: With the current trajectory of the 2019-nCoV outbreak unknown, public health and medicinal measures will both be needed to contain spreading of the virus and to optimize patient outcomes. While little is known about the virus, an examination of the ... ...

Abstract	With the current trajectory of the 2019-nCoV outbreak unknown, public health and medicinal measures will both be needed to contain spreading of the virus and to optimize patient outcomes. While little is known about the virus, an examination of the genome sequence shows strong homology with its more well-studied cousin, SARS-CoV. The spike protein used for host cell infection shows key nonsynonymous mutations which may hamper efficacy of previously developed therapeutics but remains a viable target for the development of biologics and macrocyclic peptides. Other key drug targets, including RdRp and 3CLpro, share a strikingly high (>95%) homology to SARS-CoV. Herein, we suggest 4 potential drug candidates (an ACE2-based peptide, remdesivir, 3CLpro-1 and a novel vinylsulfone protease inhibitor) that can be used to treat patients suffering with the 2019-nCoV. We also summarize previous efforts into drugging these targets and hope to help in the development of broad spectrum anti-coronaviral agents for future epidemics.
Keywords	covid19
Language	English
Publishing date	2020-01-27
Publishing country	United States
Document type	Preprint
ISSN	2573-2293
ISSN (online)	2573-2293
DOI	10.26434/chemrxiv.11728983.v1
Database	MEDical Literature Analysis and Retrieval System OnLINE

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Article ; Online: Learning from the Past: Possible Urgent Prevention and Treatment Options for Severe Acute Respiratory Infections Caused by 2019-nCoV.

Morse, Jared S / Lalonde, Tyler / Xu, Shiqing / Liu, Wenshe Ray

Chembiochem : a European journal of chemical biology

2020 Volume 21, Issue 5, Page(s) 730–738

Abstract: With the current trajectory of the 2019-nCoV outbreak unknown, public health and medicinal measures will both be needed to contain spreading of the virus and to optimize patient outcomes. Although little is known about the virus, an examination of the ... ...

Abstract	With the current trajectory of the 2019-nCoV outbreak unknown, public health and medicinal measures will both be needed to contain spreading of the virus and to optimize patient outcomes. Although little is known about the virus, an examination of the genome sequence shows strong homology with its better-studied cousin, SARS-CoV. The spike protein used for host cell infection shows key nonsynonymous mutations that might hamper the efficacy of previously developed therapeutics but remains a viable target for the development of biologics and macrocyclic peptides. Other key drug targets, including RNA-dependent RNA polymerase and coronavirus main proteinase (3CLpro), share a strikingly high (>95 %) homology to SARS-CoV. Herein, we suggest four potential drug candidates (an ACE2-based peptide, remdesivir, 3CLpro-1 and a novel vinylsulfone protease inhibitor) that could be used to treat patients suffering with the 2019-nCoV. We also summarize previous efforts into drugging these targets and hope to help in the development of broad-spectrum anti-coronaviral agents for future epidemics.
MeSH term(s)	Antiviral Agents/chemistry ; Antiviral Agents/therapeutic use ; Betacoronavirus/enzymology ; Betacoronavirus/genetics ; COVID-19 ; Coronavirus 3C Proteases ; Coronavirus Infections/drug therapy ; Coronavirus Infections/prevention & control ; Coronavirus Infections/transmission ; Cysteine Endopeptidases/chemistry ; Cysteine Endopeptidases/genetics ; Cysteine Endopeptidases/metabolism ; Drug Design ; Humans ; Pneumonia, Viral/drug therapy ; Pneumonia, Viral/prevention & control ; Pneumonia, Viral/transmission ; RNA-Dependent RNA Polymerase/chemistry ; RNA-Dependent RNA Polymerase/genetics ; RNA-Dependent RNA Polymerase/metabolism ; SARS-CoV-2 ; COVID-19 Drug Treatment
Chemical Substances	Antiviral Agents ; RNA-Dependent RNA Polymerase (EC 2.7.7.48) ; Cysteine Endopeptidases (EC 3.4.22.-) ; Coronavirus 3C Proteases (EC 3.4.22.28)
Keywords	covid19
Language	English
Publishing date	2020-02-25
Publishing country	Germany
Document type	Journal Article ; Research Support, N.I.H., Extramural ; Research Support, Non-U.S. Gov't
ZDB-ID	2020469-3
ISSN	1439-7633 ; 1439-4227
ISSN (online)	1439-7633
ISSN	1439-4227
DOI	10.1002/cbic.202000047
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Article ; Online: Phage-assisted, active site-directed ligand evolution of a potent and selective histone deacetylase 8 inhibitor.

Morse, Jared S / Sheng, Yan J / Hampton, Joshua Trae / Sylvain, Lauralee D / Das, Sukant / Alugubelli, Yugendar R / Chen, Peng-Hsun Chase / Yang, Kai S / Xu, Shiqing / Fierke, Carol A / Liu, Wenshe Ray

Protein science : a publication of the Protein Society

2022 Volume 31, Issue 12, Page(s) e4512

Abstract: Phage-assisted, active site-directed ligand evolution (PADLE) is a recently developed technique that uses an amber codon-encoded noncanonical amino acid (ncAA) as an anchor to direct phage-displayed peptides to a target for an enhanced ligand ... ...

Abstract	Phage-assisted, active site-directed ligand evolution (PADLE) is a recently developed technique that uses an amber codon-encoded noncanonical amino acid (ncAA) as an anchor to direct phage-displayed peptides to a target for an enhanced ligand identification process. 2-Amino-8-oxodecanoic acid (Aoda) is a ketone-containing ncAA residue in the macrocyclic peptide natural product apicidin that is a pan-inhibitor of Zn
MeSH term(s)	Amino Acids/genetics ; Bacteriophages/genetics ; Bacteriophages/metabolism ; Catalytic Domain ; Codon, Terminator ; Escherichia coli/genetics ; Escherichia coli/metabolism ; Histone Deacetylases/chemistry ; Ketones ; Ligands ; Peptides/chemistry ; Histone Deacetylase Inhibitors
Chemical Substances	Amino Acids ; Codon, Terminator ; Histone Deacetylases (EC 3.5.1.98) ; Ketones ; Ligands ; Peptides ; Histone Deacetylase Inhibitors
Language	English
Publishing date	2022-11-12
Publishing country	United States
Document type	Journal Article ; Research Support, N.I.H., Extramural ; Research Support, Non-U.S. Gov't
ZDB-ID	1106283-6
ISSN	1469-896X ; 0961-8368
ISSN (online)	1469-896X
ISSN	0961-8368
DOI	10.1002/pro.4512
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Article: Learning from the Past: Possible Urgent Prevention and Treatment Options for Severe Acute Respiratory Infections Caused by 2019-nCoV

Morse, Jared S / Lalonde, Tyler / Xu, Shiqing / Liu, Wenshe Ray

Chembiochem

Abstract: With the current trajectory of the 2019-nCoV outbreak unknown, public health and medicinal measures will both be needed to contain spreading of the virus and to optimize patient outcomes. Although little is known about the virus, an examination of the ... ...

Abstract	With the current trajectory of the 2019-nCoV outbreak unknown, public health and medicinal measures will both be needed to contain spreading of the virus and to optimize patient outcomes. Although little is known about the virus, an examination of the genome sequence shows strong homology with its better-studied cousin, SARS-CoV. The spike protein used for host cell infection shows key nonsynonymous mutations that might hamper the efficacy of previously developed therapeutics but remains a viable target for the development of biologics and macrocyclic peptides. Other key drug targets, including RNA-dependent RNA polymerase and coronavirus main proteinase (3CLpro), share a strikingly high (>95 %) homology to SARS-CoV. Herein, we suggest four potential drug candidates (an ACE2-based peptide, remdesivir, 3CLpro-1 and a novel vinylsulfone protease inhibitor) that could be used to treat patients suffering with the 2019-nCoV. We also summarize previous efforts into drugging these targets and hope to help in the development of broad-spectrum anti-coronaviral agents for future epidemics.
Keywords	covid19
Publisher	WHO
Document type	Article
Note	WHO #Covidence: #3842
Database	COVID19

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Article: Chloride Homeostasis Regulates cGAS-STING Signaling.

Morse, Jared / Wang, Danna / Mei, Serena / Whitham, Danielle / Hladun, Colby / Darie, Costel C / Sintim, Herman O / Wang, Modi / Leung, KaHo

bioRxiv : the preprint server for biology

2024

Abstract: The cGAS-STING signaling pathway has emerged as a key mediator of inflammation. However, the roles of chloride homeostasis on this pathway are unclear. Here, we uncovered a correlation between chloride homeostasis and cGAS-STING signaling. We found that ... ...

Abstract	The cGAS-STING signaling pathway has emerged as a key mediator of inflammation. However, the roles of chloride homeostasis on this pathway are unclear. Here, we uncovered a correlation between chloride homeostasis and cGAS-STING signaling. We found that dysregulation of chloride homeostasis attenuates cGAS-STING signaling in a lysosome-independent manner. Treating immune cells with chloride channel inhibitors attenuated 2'3'-cGAMP production by cGAS and also suppressed STING polymerization, leading to reduced cytokine production. We also demonstrate that non-selective chloride channel blockers can suppress the NPC1 deficiency-induced, hyper-activated STING signaling in skin fibroblasts derived from Niemann Pick disease type C (NPC) patients. Our findings reveal that chloride homeostasis majorly affects cGAS-STING pathway and suggest a provocative strategy to dampen STING-mediated inflammation via targeting chloride channels.
Language	English
Publishing date	2024-04-09
Publishing country	United States
Document type	Preprint
DOI	10.1101/2024.04.08.588475
Database	MEDical Literature Analysis and Retrieval System OnLINE

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Article ; Online: Expressed Protein Ligation without Intein.

Qiao, Yuchen / Yu, Ge / Kratch, Kaci C / Wang, Xiaoyan Aria / Wang, Wesley Wei / Leeuwon, Sunshine Z / Xu, Shiqing / Morse, Jared S / Liu, Wenshe Ray

Journal of the American Chemical Society

2020 Volume 142, Issue 15, Page(s) 7047–7054

Abstract: Proteins with a ... ...

Abstract	Proteins with a functionalized
MeSH term(s)	Humans ; Inteins/genetics ; Recombinant Proteins/chemistry
Chemical Substances	Recombinant Proteins
Language	English
Publishing date	2020-04-02
Publishing country	United States
Document type	Journal Article ; Research Support, N.I.H., Extramural ; Research Support, Non-U.S. Gov't
ZDB-ID	3155-0
ISSN	1520-5126 ; 0002-7863
ISSN (online)	1520-5126
ISSN	0002-7863
DOI	10.1021/jacs.0c00252
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Article ; Online: An amber obligate active site-directed ligand evolution technique for phage display

Jeffery M. Tharp / J. Trae Hampton / Catrina A. Reed / Andreas Ehnbom / Peng-Hsun Chase Chen / Jared S. Morse / Yadagirri Kurra / Lisa M. Pérez / Shiqing Xu / Wenshe Ray Liu

Nature Communications, Vol 11, Iss 1, Pp 1-

2020 Volume 14

Abstract: Most epigenetic regulator inhibitors target tunnels of active sites, rather than the peptide binding groove, leading to concerns with low selectivity. Here the authors use an amber obligate phage library to rapidly identify isoform-selective inhibitors ... ...

Abstract	Most epigenetic regulator inhibitors target tunnels of active sites, rather than the peptide binding groove, leading to concerns with low selectivity. Here the authors use an amber obligate phage library to rapidly identify isoform-selective inhibitors of SIRT2.
Keywords	Science ; Q
Language	English
Publishing date	2020-03-01T00:00:00Z
Publisher	Nature Portfolio
Document type	Article ; Online
Database	BASE - Bielefeld Academic Search Engine (life sciences selection)

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Article ; Online: Cerebral oxygenation and perfusion kinetics monitoring of military aircrew at high G using novel fNIRS wearable system.

Roumengous, Thibault / Boutwell, R Casey / Strohmaier, Jason / Allen, Jared / Goldbach, Brett / Marotta, Nicholas / Songkakul, Tanner / Critcher, Shelby / Morse, Bria G / Beer, Jeremy M A / Sherman, Paul M

Frontiers in neuroergonomics

2024 Volume 5, Page(s) 1357905

Abstract: Introduction: Real-time physiological episode (PE) detection and management in aircrew operating high-performance aircraft (HPA) is crucial for the US Military. This paper addresses the unique challenges posed by high acceleration (G-force) in HPA ... ...

Abstract	Introduction: Real-time physiological episode (PE) detection and management in aircrew operating high-performance aircraft (HPA) is crucial for the US Military. This paper addresses the unique challenges posed by high acceleration (G-force) in HPA aircrew and explores the potential of a novel wearable functional near-infrared spectroscopy (fNIRS) system, named NIRSense Aerie, to continuously monitor cerebral oxygenation during high G-force exposure. Methods: The NIRSense Aerie system is a flight-optimized, wearable fNIRS device designed to monitor tissue oxygenation 13-20 mm below the skin's surface. The system includes an optical frontend adhered to the forehead, an electronics module behind the earcup of aircrew helmets, and a custom adhesive for secure attachment. The fNIRS optical layout incorporates near-distance, middle-distance, and far-distance infrared emitters, a photodetector, and an accelerometer for motion measurements. Data processing involves the modified Beer-Lambert law for computing relative chromophore concentration changes. A human evaluation of the NIRSense Aerie was conducted on six subjects exposed to G-forces up to +9 Gz in an Aerospace Environmental Protection Laboratory centrifuge. fNIRS data, pulse oximetry, and electrocardiography (HR) were collected to analyze cerebral and superficial tissue oxygenation kinetics during G-loading and recovery. Results: The NIRSense Aerie successfully captured cerebral deoxygenation responses during high G-force exposure, demonstrating its potential for continuous monitoring in challenging operational environments. Pulse oximetry was compromised during G-loading, emphasizing the system's advantage in uninterrupted cerebrovascular monitoring. Significant changes in oxygenation metrics were observed across G-loading levels, with distinct responses in Deoxy-Hb and Oxy-Hb concentrations. HR increased during G-loading, reflecting physiological stress and the anti-G straining maneuver. Discussion: The NIRSense Aerie shows promise for real-time monitoring of aircrew physiological responses during high G-force exposure. Despite challenges, the system provides valuable insights into cerebral oxygenation kinetics. Future developments aim for miniaturization and optimization for enhanced aircrew comfort and wearability. This technology has potential for improving anti-G straining maneuver learning and retention through real-time cerebral oxygenation feedback during centrifuge training.
Language	English
Publishing date	2024-02-23
Publishing country	Switzerland
Document type	Journal Article
ISSN	2673-6195
ISSN (online)	2673-6195
DOI	10.3389/fnrgo.2024.1357905
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Article ; Online: An amber obligate active site-directed ligand evolution technique for phage display.

Tharp, Jeffery M / Hampton, J Trae / Reed, Catrina A / Ehnbom, Andreas / Chen, Peng-Hsun Chase / Morse, Jared S / Kurra, Yadagirri / Pérez, Lisa M / Xu, Shiqing / Liu, Wenshe Ray

Nature communications

2020 Volume 11, Issue 1, Page(s) 1392

Abstract: Although noncanonical amino acids (ncAAs) were first incorporated into phage libraries through amber suppression nearly two decades ago, their application for use in drug discovery has been limited due to inherent library bias towards sense-containing ... ...

Abstract	Although noncanonical amino acids (ncAAs) were first incorporated into phage libraries through amber suppression nearly two decades ago, their application for use in drug discovery has been limited due to inherent library bias towards sense-containing phages. Here, we report a technique based on superinfection immunity of phages to enrich amber-containing clones, thus avoiding the observed bias that has hindered incorporation of ncAAs into phage libraries. We then take advantage of this technique for development of active site-directed ligand evolution of peptides, where the ncAA serves as an anchor to direct the binding of its peptides to the target's active site. To demonstrate this, phage-displayed peptide libraries are developed that contain a genetically encoded butyryl lysine and are subsequently used to select for ligands that bind SIRT2. These ligands are then modified to develop low nanomolar inhibitors of SIRT2.
MeSH term(s)	Amber/metabolism ; Bacteriophages/metabolism ; Catalytic Domain ; Drug Discovery ; Genetic Techniques ; Humans ; Ligands ; Lysine/metabolism ; Molecular Docking Simulation ; Peptide Library ; Peptides/metabolism ; Sirtuin 2/metabolism
Chemical Substances	Amber ; Ligands ; Peptide Library ; Peptides ; Sirtuin 2 (EC 3.5.1.-) ; Lysine (K3Z4F929H6)
Language	English
Publishing date	2020-03-13
Publishing country	England
Document type	Journal Article ; Research Support, N.I.H., Extramural ; Research Support, Non-U.S. Gov't ; Research Support, U.S. Gov't, Non-P.H.S.
ZDB-ID	2553671-0
ISSN	2041-1723 ; 2041-1723
ISSN (online)	2041-1723
ISSN	2041-1723
DOI	10.1038/s41467-020-15057-7
Database	MEDical Literature Analysis and Retrieval System OnLINE

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Article: Expressed Protein Ligation without Intein

Qiao, Yuchen / Yu, Ge / Kratch, Kaci C / Wang, Xiaoyan Aria / Wang, Wesley Wei / Leeuwon, Sunshine Z / Xu, Shiqing / Morse, Jared S / Liu, Wenshe Ray

Journal of the American Chemical Society. 2020 Mar. 26, v. 142, no. 15

2020

Abstract: Proteins with a functionalized C-terminus such as a C-terminal thioester are key to the synthesis of larger proteins via expressed protein ligation. They are usually made by recombinant fusion to intein. Although powerful, the intein fusion approach ... ...

Abstract	Proteins with a functionalized C-terminus such as a C-terminal thioester are key to the synthesis of larger proteins via expressed protein ligation. They are usually made by recombinant fusion to intein. Although powerful, the intein fusion approach suffers from premature hydrolysis and low compatibility with denatured conditions. To totally bypass the involvement of an enzyme for expressed protein ligation, here we showed that a cysteine in a recombinant protein was chemically activated by a small molecule cyanylating reagent at its N-side amide for undergoing nucleophilic acyl substitution with amines including a number of l- and d-amino acids and hydrazine. The afforded protein hydrazides could be used further for expressed protein ligation. We demonstrated the versatility of this activated cysteine-directed protein ligation (ACPL) approach with the successful synthesis of ubiquitin conjugates, ubiquitin-like protein conjugates, histone H2A with a C-terminal posttranslational modification, RNase H that actively hydrolyzed RNA, and exenatide that is a commercial therapeutic peptide. The technique, which is exceedingly simple but highly useful, expands to a great extent the synthetic capacity of protein chemistry and will therefore make a large avenue of new research possible.
Keywords	Lewis bases ; RNA ; cysteine ; histones ; hydrazides ; hydrazine ; hydrolysis ; peptides ; post-translational modification ; recombinant proteins ; ribonucleases ; therapeutics ; thioesters ; ubiquitin
Language	English
Dates of publication	2020-0326
Size	p. 7047-7054.
Publishing place	American Chemical Society
Document type	Article
Note	NAL-AP-2-clean
ZDB-ID	3155-0
ISSN	1520-5126 ; 0002-7863
ISSN (online)	1520-5126
ISSN	0002-7863
DOI	10.1021/jacs.0c00252
Database	NAL-Catalogue (AGRICOLA)

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