Evidence map›Paper›PMID 41978983›Full record

ArticleJournal of the American Chemical Society2026

Nicotine-Inspired, De Novo-Designed SARS-CoV-2 Main Protease Inhibitors Reveal Unique Chemistry for Covalently Conjugating Both Cysteine and Histidine Residues in the Catalytic Dyad.

Sandeep Atla, Veerabhadra Vulupala, Yugendar R Alugubelli, Lauren R Blankenship, Kai Yang, Satyanarayana Nyalata, Kaustav Khatua, Demonta Coleman, Dorsa Rabie, Xuejiao Guo and 9 more

Abstract read
PubMed Full text at PMC Publisher
In one paragraph

Article in Journal of the American Chemical Society, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

0numbers the graph read from it
0cells of the map it votes in
0citing papers in PubMed
–field-weighted citation impact
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

0 citing papers in PubMed.

No citing paper in PubMed yet.

4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

19 authors.

Sandeep AtlaTexas A&M Drug Discovery Center and Department of Chemistry, Texas A&M University, College Station, Texas 77843, United States.
Veerabhadra VulupalaTexas A&M Drug Discovery Center and Department of Chemistry, Texas A&M University, College Station, Texas 77843, United States.
Yugendar R AlugubelliTexas A&M Drug Discovery Center and Department of Chemistry, Texas A&M University, College Station, Texas 77843, United States.
Lauren R BlankenshipTexas A&M Drug Discovery Center and Department of Chemistry, Texas A&M University, College Station, Texas 77843, United States.
Kai YangTexas A&M Drug Discovery Center and Department of Chemistry, Texas A&M University, College Station, Texas 77843, United States.ORCID 0000-0002-1890-4169
Satyanarayana NyalataTexas A&M Drug Discovery Center and Department of Chemistry, Texas A&M University, College Station, Texas 77843, United States.ORCID 0009-0009-6717-5941
Kaustav KhatuaTexas A&M Drug Discovery Center and Department of Chemistry, Texas A&M University, College Station, Texas 77843, United States.
Demonta ColemanTexas A&M Drug Discovery Center and Department of Chemistry, Texas A&M University, College Station, Texas 77843, United States.
Dorsa RabieTexas A&M Drug Discovery Center and Department of Chemistry, Texas A&M University, College Station, Texas 77843, United States.
Xuejiao GuoTexas A&M Drug Discovery Center and Department of Chemistry, Texas A&M University, College Station, Texas 77843, United States.
Chia-Chuan D ChoTexas A&M Drug Discovery Center and Department of Chemistry, Texas A&M University, College Station, Texas 77843, United States.
Sathish KumarDepartment of Biology, College of Arts and Sciences, Texas A&M University, College Station, Texas 77843, United States.
Lai Hoang Son LeTexas A&M Drug Discovery Center and Department of Chemistry, Texas A&M University, College Station, Texas 77843, United States.ORCID 0000-0002-2473-6309
Banumathi SankaranMolecular Biophysics and Integrated Bioimaging, Berkeley Center for Structural Biology, Laurence Berkeley National Laboratory, Berkeley, California 94720, United States.
Justin K KaluginDivision of Chemical Biology and Medicinal Chemistry, The University of Texas, Austin, Texas 78712, United States.
Shivangi SharmaTexas A&M Drug Discovery Center and Department of Chemistry, Texas A&M University, College Station, Texas 77843, United States.
Benjamin W NeumanDepartment of Biology, College of Arts and Sciences, Texas A&M University, College Station, Texas 77843, United States.ORCID 0000-0003-1240-8954
Shiqing XuTexas A&M Drug Discovery Center and Department of Chemistry, Texas A&M University, College Station, Texas 77843, United States.ORCID 0000-0001-6260-9290
Wenshe Ray LiuTexas A&M Drug Discovery Center and Department of Chemistry, Texas A&M University, College Station, Texas 77843, United States.ORCID 0000-0002-7078-6534

Funding

User Training and OutreachP30GM124169 · UNIVERSITY OF CALIF-LAWRENC BERKELEY LAB · 2025 to 2025
$3.3M
Use of the Noncanonical Amino Acid Mutagenesis Technique in Combination with Other Approaches to Study Functions of Posttranslational Lysine Modifications in ProteinsR35GM145351 · TEXAS A&M UNIVERSITY · 2025 to 2025
$519k
NIBIB NIH HHS R21 EB032983NIGMS NIH HHS P30 GM124169NIGMS NIH HHS R35 GM145351
6 · The paper itself

Abstract

Anecdotal reports about smokers with low SARS-CoV-2 infection rates prompted a search for nicotine and its pyrolysis products as SARS-CoV-2 main protease (M

Indexed as

Antiviral AgentsBetacoronavirusCoronavirus 3C ProteasesCysteineHistidineNicotineProtease InhibitorsSARS-CoV-2Catalytic DomainDrug DesignHumansModels, MolecularAntiviral AgentsCoronavirus 3C ProteasesCysteineHistidineNicotineProtease Inhibitors

Identifiers

PMID41978983
PMCPMC13133898

What Socratic holds

Textmetadata
LicenceTDM
Read underepoch 390

Registered trials

None linked

Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the Socratic graph.