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

S Sandeep Atla (Texas A&M Drug Discovery Center and Department of Chemistry) V Veerabhadra Vulupala (Texas A&M Drug Discovery Center and Department of Chemistry) Y Yugendar R. Alugubelli (Texas A&M Drug Discovery Center and Department of Chemistry) L Lauren R. Blankenship (Texas A&M Drug Discovery Center and Department of Chemistry) K Kai Yang S Satyanarayana Nyalata (Texas A&M Drug Discovery Center and Department of Chemistry) K Kaustav Khatua (Texas A&M Drug Discovery Center and Department of Chemistry) D Demonta Coleman (Texas A&M Drug Discovery Center and Department of Chemistry) D Dorsa Rabie (Texas A&M Drug Discovery Center and Department of Chemistry) X Xuejiao Guo (Texas A&M Drug Discovery Center and Department of Chemistry) C Chia-Chuan D. Cho (Texas A&M Drug Discovery Center and Department of Chemistry) S Sathish Kumar (Department of Biology, College of Arts and Sciences) L Lai Hoang Son Le (Texas A&M Drug Discovery Center and Department of Chemistry) B Banumathi Sankaran J Justin K. Kalugin S Shivangi Sharma (Texas A&M Drug Discovery Center and Department of Chemistry) B Benjamin W. Neuman (Department of Biology, College of Arts and Sciences) S Shiqing Xu (Texas A&M Drug Discovery Center and Department of Chemistry) W Wenshe Ray Liu (Texas A&M Drug Discovery Center and Department of Chemistry)

Article Details

Volume / Issue Vol. 148, Issue 16
Published April 29, 2026
Pages 16985-16995
ISSN 0002-7863
Publisher American Chemical Society

Journal Info

Journal of the American Chemical Society

American Chemical Society

ISSN: 0002-7863 Physical Sciences

Authors (19)

S

Sandeep Atla

Texas A&M Drug Discovery Center and Department of Chemistry

V

Veerabhadra Vulupala

Texas A&M Drug Discovery Center and Department of Chemistry

Y

Yugendar R. Alugubelli

Texas A&M Drug Discovery Center and Department of Chemistry

L

Lauren R. Blankenship

Texas A&M Drug Discovery Center and Department of Chemistry

K

Kai Yang

S

Satyanarayana Nyalata

Texas A&M Drug Discovery Center and Department of Chemistry

K

Kaustav Khatua

Texas A&M Drug Discovery Center and Department of Chemistry

D

Demonta Coleman

Texas A&M Drug Discovery Center and Department of Chemistry

D

Dorsa Rabie

Texas A&M Drug Discovery Center and Department of Chemistry

X

Xuejiao Guo

Texas A&M Drug Discovery Center and Department of Chemistry

C

Chia-Chuan D. Cho

Texas A&M Drug Discovery Center and Department of Chemistry

S

Sathish Kumar

Department of Biology, College of Arts and Sciences

L

Lai Hoang Son Le

Texas A&M Drug Discovery Center and Department of Chemistry

B

Banumathi Sankaran

J

Justin K. Kalugin

S

Shivangi Sharma

Texas A&M Drug Discovery Center and Department of Chemistry

B

Benjamin W. Neuman

Department of Biology, College of Arts and Sciences

S

Shiqing Xu

Texas A&M Drug Discovery Center and Department of Chemistry

W

Wenshe Ray Liu

Texas A&M Drug Discovery Center and Department of Chemistry