About

Professor Shiqing Xu is associated with the Texas A&M Irma Lerma Rangel College of Pharmacy. The provided page text does not include specific details about his research focus, background, or key contributions. Therefore, a detailed professional biography cannot be extracted from the given information.

Research topics

• Virology
• Medicine
• Internal medicine
• Intensive care medicine
• Biology
• Biochemistry
• Chemistry

Selected publications

• Human Periodontal Ligament Cells Exosome-Loaded Biodegradable Piezoelectric Fibrous Membrane for Vascularized Periodontal Bone Regeneration

  ACS Biomaterials Science & Engineering · 2026-04-21

  article

  Periodontal bone destruction caused by periodontitis, surgery, or trauma results in loss of periodontal ligament attachment, which in turn leads to tooth mobility and tooth loss. Complete periodontal bone reconstruction remains challenging. Periodontal ligament mesenchymal stem cells (PDLSCs) are a crucial cellular resource for regenerating and repairing periodontal bone defects. As a cell-free therapeutic approach, exosomes (Exos) derived from PDLSCs represent a promising and effective cell-free therapeutic strategy for inducing neo-bone growth. Due to the electrophysiological features of native bone, this study proposed the use of a piezoelectric fibrous membrane as the delivery carrier for Exos in guided tissue/bone regeneration therapy, synergistically promoting periodontal bone regeneration. The membrane was composed of poly(l-lactide)/gelatin, fabricated via electrospinning, and coated with polydopamine for Exos loading and sustained release. The piezoelectricity of the membrane came from the poly(l-lactide) after polarization. The material electroactivity and the bioactive Exos combinedly created a microenvironment conducive to cell recruitment, proliferation, angiogenic and osteogenic differentiation. In rat periodontal bone defect models, piezoelectric membranes functionalized with PDLSC-Exos significantly enhanced bone regeneration compared to membranes lacking Exos or piezoelectric properties. Collectively, this study provided valuable new insights to design biomimetic membranes with enhanced angiogenesis and osteogenesis properties for vascularized periodontal bone regeneration and other applications.

  PublisherDOI

• From vibrations to function: Spectroscopic detection and quantification of π-π stacking in drug-responsive protein complexes

  Science Advances · 2026-04-08

  articleOpen access

  Aromatic π-π stacking interactions are fundamental to protein architecture, molecular recognition, and drug efficacy, yet directly quantifying them under near-physiological conditions has remained challenging. Here, we use a recently developed spectroscopic platform, thermostable Raman interaction profiling (TRIP), that enables direct, label-free detection and quantification of aromatic π-π interactions in complex protein environments. Using the SARS-CoV-2 (severe acute respiratory syndrome coronavirus 2) main protease (M pro ) as a biologically and clinically relevant model, we demonstrate that subtle changes in the phenylalanine benzene ring breathing (BRB) mode serve as a precise spectroscopic indicator of π-π stacking strength. This signal is highly responsive to both protein concentration-dependent dimerization and ligand-induced structural changes. M pro forms a catalytically active dimer stabilized by a conserved aromatic triad (phenylalanine-140, histidine-163, and histidine-172), providing an ideal system to interrogate π-stacking at an important protein interface. Potent inhibitors MPI8 and nirmatrelvir produced the strongest BRB spectral shifts, broadening, and intensity changes, consistent with enhanced aromatic stacking and dimer stabilization, whereas halicin and VB-B-145 showed weaker engagement. BRB spectral changes also showed quantitative correlation with dimerization efficiency, published IC 50 (median inhibitory concentration) values, and antiviral efficacy in A549-ACE2 cells. Complementary density functional theory revealed electron density rearrangements and vibrational coupling patterns unique to stacked aromatic residues. This integrated spectroscopic-computational approach enables quantitative probing of π-π stacking in native-like protein environments and positioning TRIP as a generalizable tool for designing drugs targeting aromatic protein-protein interfaces.

  PublisherDOI

• From nicotine to SARS-CoV-2 antivirals with potent in vivo efficacy and a broad anti-coronavirus spectrum

  Nature Communications · 2026-02-14 · 1 citations

  articleOpen access

  Abstract Anecdotal reports about smoking that might prevent SARS-CoV-2 infection inspire the search for nicotine and its pyrolysis products as inhibitors of the SARS-CoV-2 main protease (M Pro ). This effort leads to the discovery of 3-vinylpyridine as an M Pro inhibitor. 3-Vinylpyridine resembles part of nirmatrelvir in binding to M Pro but does not involve a critical interaction with residue E166, whose mutation has led to resistance to nirmatrelvir. Integration of the two molecules, followed by a medicinal chemistry campaign, produces several molecules with better in vitro potency than nirmatrelvir. Two lead molecules, YR-C-136 and SR-B-103, display better pharmacokinetic characteristics than nirmatrelvir in virus-challenged male mice and much better antiviral efficacy in virus-challenged female mice. Both molecules maintain high potency in inhibiting the nirmatrelvir-resistant M Pro (E166V/L50F) variant. They also exhibit a broad and highly potent antiviral spectrum against most pathogenic coronaviruses. With high in vivo potency, both molecules are potentially standalone pan-antivirals for coronaviruses and may serve as countermeasures for future coronavirus outbreaks.

  PublisherOA PDFDOI

• Regioselective multicomponent synthesis of α-boryl ureas: discovery of a potent main protease inhibitor

  Organic & Biomolecular Chemistry · 2026-01-01

  articleOpen accessSenior authorCorresponding

  = 12 nM) against the SARS-CoV-2 main protease. This work not only provides a streamlined and practical synthetic route to diverse α-boryl ureas, but also underscores their potential as valuable scaffolds in the development of new therapeutics.

  PublisherOA PDFDOI

• 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

  Journal of the American Chemical Society · 2026-04-14

  articleOpen accessCorresponding

  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 (MPro) inhibitors. From this search, 3-vinylpyridine was discovered as a weak binder for the MPro S1 subsite and was used subsequently as a de novo starting point for covalent inhibitor design that quickly yielded a highly potent inhibitor, SR-A-174, with an IC50 value of 60 nM. Representing a novel class of MPro inhibitors, SR-A-174 features an N,N-diaryl-α,α-dichloroacetamide scaffold that facilitated rapid exploration of alternative covalent warheads and various N-substituents, leading to the identification of multiple inhibitors with potent antiviral activity. Eight such MPro inhibitor structures were determined, all demonstrating covalent binding to catalytic Cys145 of MPro. In six determined structures, binding is dominated by the covalent bond plus van der Waals contacts, which contrasts with the extensive hydrogen bond networks formed with peptidomimetic inhibitors such as nirmatrelvir. Strikingly, two N,N-diaryl-α,α-dichloroacetamide inhibitors exhibit an unprecedented dual covalent modification mode of the catalytic dyad, forming bonds to both Cys145 and His41 with a concomitant loss of both chlorides and displacing the inhibitors from the S1 subsite. This dyad-targeting reactivity suggests a novel route for bioconjugation of both cysteine and histidine.

  PublisherDOI

• Corynoline and extracellular vesicles co-loaded scaffold accelerates vascularized bone regeneration with photothermal stimulation

  SSRN Electronic Journal · 2026-01-01

  preprintOpen access
  PublisherDOI

• Elucidating the Photoluminescence Origin of Silver Nanoclusters in Amorphous Matrices through Heavy-Atom Engineering

  ACS Applied Nano Materials · 2025-10-07 · 3 citations

  article

  Silver (Ag) nanoclusters exhibit tunable dual emission integrating fluorescence and phosphorescence, yet in amorphous matrices blue fluorescence dominates, limiting phosphorescence and obscuring mechanisms of photoluminescence (PL). Here, halogen incorporation (Cl, Br, I) enhances heavy-atom effect, significantly increasing phosphorescence with a quantum yield of 27.54% through strengthened spin–orbit coupling and accelerated intersystem crossing. Iodide-modified glass achieves ultra-broadband emission (full width at half-maximum, fwhm = 223 nm), enabling its use as a single-component material for white-light-emitting diodes (WLEDs). The devices show stable chromaticity (CIE: 0.309, 0.352), high color rendering (Ra = 91.4), and correlated color temperature (CCT = 6552 K).

  PublisherDOI

• Facile One-Pot Synthesis of α-Boryl Ureas and Carbamates via in situ Generated α-Boryl Isocyanates to Uncover a Potent Main Protease Inhibitor

  ChemRxiv · 2025-01-14

  preprintOpen accessSenior author

  The development of efficient synthetic methods for α-boryl ureas and carbamates is of significant interest due to their potential as drug-like scaffolds in medicinal chemistry. This study presents a novel one-pot synthesis of α-boryl ureas and carbamates via α-boryl isocyanates, generated in situ from widely available α-haloboronates. The method leverages an in situ activation of trimethylsilyl isocyanate by sodium iodide to generate a more nucleophilic isocyanate species, facilitating the formation of α-boryl isocyanates under mild conditions. The broad substrate scope and functional group tolerance of this protocol enable the synthesis of diverse α-boryl ureas and carbamates, including biologically relevant molecules and late-stage pharmaceutical derivatives. To showcase the potential of this methodology in drug discovery, an α-boryl urea analog of nirmatrelvir, a SARS-CoV-2 main protease inhibitor, was synthesized, demonstrating enhanced potency (IC50 = 12 nM) compared to nirmatrelvir. This work not only offers a streamlined, direct approach for the preparation of synthetically challenging α-boryl ureas and carbamates with broad structural diversity, but also underscores the importance of α-boryl ureas as valuable scaffolds for the development of new therapeutics.

  PublisherOA PDFDOI

• Bench-Stable Boryl Dication Enables Aziridinyl Boronate Synthesis via Metal-Free Late-Stage Aziridination with Diverse Nitrogen Nucleophiles

  ChemRxiv · 2025-01-14

  preprintOpen accessSenior author

  Organoboron compounds are indispensable in modern organic synthesis and biomedical research. This study describes the first synthesis of bench-stable boryl dicationic compound via chemical or electrochemical thianthrenation of vinyl MIDA boronate. Notably, the MIDA boryl group plays a crucial role in thianthrenation, suppressing undesired deborylation and promoting exclusive mono-adduct formation via a formal [4+2] cycloaddition pathway. This unique boryl dication enables a transition-metal-free, chemo- and diastereoselective synthesis of aziridinyl boronates, utilizing a broad range of nitrogen nucleophiles. The method demonstrates remarkable generality, practicality, and functional group tolerance, as evidenced by its application to diverse substrates, including the late-stage modification of several drug molecules. The strategic significance of this approach is further highlighted through electrochemical one-pot protocol and multiple downstream transformations of aziridinyl boronates, offering new opportunities for synthetically challenging boron-containing drug-like scaffolds.

  PublisherOA PDFDOI

• Synergistic piezo-Fenton catalysis in Fe-doped Bi2WO6 nanosheets: Enhanced charge transfer for organic pollutant degradation

  Materials Today Communications · 2025-05-25 · 1 citations

  article
  PublisherDOI

Recent grants

• The Development of Reversible Covalent PROTAC Technology as a New Anti-COVID-19 Strategy

  NIH · $406k · 2021–2024

• Development of PROTACs Targeting Papain-like Protease as Broad-Spectrum Anti-Coronavirus Therapeutics

  NIH · $405k · 2022–2025

Frequent coauthors

• Wenshe Ray Liu

  Mitchell Institute

  62 shared

• Kai S. Yang

  Texas A&M University

  31 shared

• Ei‐ichi Negishi

  Tokyo Medical University

  27 shared

• Yugendar R. Alugubelli

  Texas A&M University

  23 shared

• Lauren R. Blankenship

  Texas A&M University

  22 shared

• Zhi Geng

  Institute of High Energy Physics

  22 shared

• Xin Yan

  East China University of Technology

  20 shared

• R. Xinyu

  Texas A&M University

  18 shared

Labs

• Pharmaceutical SciencesPI

Education

• Postdoc , Chemistry

  Purdue University

  2013

• PhD, Medicinal Chemistry

  Fudan University

  2009

Awards & honors

• Presidential Impact Fellow