Infection

SARS-CoV-2-IN-122 is a SARS-CoV-2 inhibitor by targeting the S2 subunit of the spike protein. SARS-CoV-2-IN-122 interacts with residues linked to membrane fusion-associated conformational rearrangements, interfering with viral entry events. SARS-CoV-2-IN-122 inhibits SARS-CoV-2 replication, lacks direct virucidal activity, and does not impair viral-host cell attachment. SARS-CoV-2-IN-122 exhibits activity against SARS-CoV-2 variants including B.1 and Omicron (BA.2.86.1). SARS-CoV-2-IN-122 can be used for the research of coronavirus disease 2019 (COVID-19).

Procaine benzylpenicillin (Penicillin G procaine) is an antimicrobial agent. Procaine benzylpenicillin shows inhibitory activity against gram-positive bacteria and synergistic activity with Neomycin (HY-B0470). Procaine benzylpenicillin can be used in the study of bovine mastitis in animal husbandry.

DHDPS-IN-1 (compound 8) is a DHDPS inhibitor (IC₅₀: 39 μM). DHDPS-IN-1 can be used in the area of antibacterial and herbicidal.

Descarbamoyl cefuroxime is a degradation product of Cefuroxime. Descarbamoyl cefuroxime is also an intermediate for the synthesis of Cephalosporin antibiotics.

C5-O-Demethyl K41-A is a K41-A polyether ionophore derivative found in Streptomyces cacaoi, with anti-bacteria activity. C5-O-Demethyl K41-A exhibits antibacterial activity against Bacillus subtilis and methicillin-resistant Staphylococcus aureus. C5-O-Demethyl K41-A can be used in studies related to bacterial infections.

NE58043 (Compound 21) is a nitrogen-containing bisphosphonate compound. NE58043 has no significant inhibitory activity against Entamoeba histolytica and Plasmodium falciparum with IC₅₀ > 200 μM. NE58043 shows a LD₅₀ of 171 μM for human nasopharyngeal carcinoma KB cells. NE58043 can be used for the research of cancer and infection, such as nasopharyngeal carcinoma.

Pretomanid-d₅ is deuterated labeled Pretomanid (HY-10844). Pretomanid (PA-824) is an antibiotic used for the research of multi-drug-resistant tuberculosis affecting the lungs. Pretomanid exhibits a sub-micromolar MIC against M. tuberculosis (MTB). The MIC values of PA-824 against a panel of MTB pan-sensitive and Rifampin mono-resistant clinical isolates range from 0.015 to 0.25 μg/mL.

XT17 is an anthrone compound with broad-spectrum antibacterial activity. It exerts its antibacterial effect by disrupting the cell wall and inhibiting DNA synthesis. XT17 exhibits weak hemolytic activity, low cytotoxicity against mammalian cell lines, and a low frequency of drug resistance. Meanwhile, XT17 shows in vivo efficacy in a mouse corneal infection model induced by Staphylococcus aureus or Pseudomonas aeruginosa. Further docking studies have confirmed that XT17 can form a stable complex with bacterial gyrase. XT17 can be used in the research of the anti - infection field.

RNP-11 is a selective COX-2 inhibitor with an IC₅₀ of 42.85 μg/mL against human COX-2, and also acts as a bactericide and anti-inflammatory agent. RNP-11 inhibits the production of pro-inflammatory cytokines (IL-6, TNF-α, IL-1β, disrupts bacterial cell membranes and induces bacterial cell death. RNP-11 exhibits activity against strains of Staphylococcus and Enterococcus, including Methicillin (HY-121544)-resistant Staphylococcus aureus and Vancomycin (HY-B0671)-resistant Enterococcus faecium. RNP-11 reduces the load of Staphylococcus aureus, exerting dual effects of pathogen clearance and inflammatory response alleviation in a mouse skin infection model,. RNP-11 can be used in research related to infections caused by Staphylococcus, Staphylococcus aureus and Enterococcus faecium.

Acetic acid lead is a carboxylic acid and short-chain fatty acid (SCFAs). Magnesium acetate tetrahydrate activates AMPK, increases ROS, cleaved caspase 9, PPARα, downregulates SREBP-1c, ChREBP expression. Acetic acid lead exhibits antifungal activity against Saccharomyces cerevisiae W303-1A. Acetic acid lead regulates energy metabolism. Acetic acid lead has anticancer activity against gastric cancer. Acetic acid lead induces writhing reaction and ulcerative colitis. Acetic acid lead can be used in the researches for gastric cancer, ulcerative colitis, hepatic steatosis, and pain.

RSV L-protein-IN-5 (compound E) is a potent inhibitor of Respiratory syncytial virus (RSV) (EC₅₀=0.1 μM). RSV L-protein-IN-5 inhibits Polymerase (IC₅₀=0.66 μM)，and blocks RSV mRNA synthesis by inhibiting guanylation of viral transcripts. RSV L-protein-IN-5 shows moderate cytotoxicity (CC50=10.7 μM，HEp-2)，also exhibits activity and lowers virus titers in mouse models of RSV infection.

5-O-Methylglycryol is an isoflavonoid compound that can be isolated and extracted from Glycyrrhiza uralensis. 5-O-Methylglycryol has antibacterial activity and can inhibit the growth of the oral Gram-positive bacterium Streptococcus mutans. 5-O-Methylglycryol can be used in the study of dental caries.

18-Hydroxycamptothecin is a camptothecin analogue that can be isolated from Camptotheca acuminata. Camptothecin compounds possess potential activities such as anti-cancer and anti-viral properties.

Cardio-green butyl acetate (CaGA) is a potent antifungal fungicide, with a K value of 3.20 × 10⁴ M^-1 for binding to Ergosterol in fungal cell membranes. Cardio-green butyl acetate binds specifically and non-covalently to Ergosterol in fungal cell membranes via hydrogen bonding and hydrophobic interactions, triggering local thinning of the cell membrane, disordered lipid arrangement, and content leakage. Cardio-green butyl acetate can be used in studies related to Candida albicans infections.

Mycobacterium tuberculosis-IN-9 is an orally active Mycobacterium tuberculosis BioA inhibitor with a K_i value of 0.2 nM. Mycobacterium tuberculosis-IN-9 targets the biotin biosynthesis pathway. Mycobacterium tuberculosis-IN-9 inhibits the growth of Mycobacterium tuberculosis in mouse models and is effective against both drug-sensitive and drug-resistant strains. Mycobacterium tuberculosis-IN-9 can be used for the research of tuberculosis.

Antimalarial agent-71 is an antimalarial agent and antioxidant. Antimalarial agent-71 is computationally predicted to bind within the PfNDH2 binding pocket, which is located on the type II NADH dehydrogenase of the mitochondrial electron transport chain. Antimalarial agent-71 inhibits the growth of Plasmodium falciparum 3D7 parasites in whole-cell assays. Antimalarial agent-71 scavenges DPPH free radicals. Antimalarial agent-71 can be used in research on malaria and antioxidation.

(+)-Carbovir (NSC 614846) is an antiviral drug with activity against human immunodeficiency virus type 1. (+)-Carbovir is a nucleoside analog with enhanced chemical and metabolic stability. (+)-Carbovir can be used in AIDS research.

B26 peptoid is a ptoid antibiotic. B26 peptoid exhibits excellent broad-spectrum activity and high selectivity toward a panel of Gram-positive and Gram-negative bacterial strains. B26 peptoid disrupts bacterial membranes and has bactericidal activity. B26 peptoid shows low propensity for bacterial drug resistance. B26 peptoid can be used for the research of bacterial infection.

Antibacterial agent 35, an antibacterial agent, significantly lowers MIC value of antibacterial agent Ceftazidime.

Rudolfomycin is an anthracycline Antibiotic, composed of the aglycone ε-pyrromycinone and three glycosyl sugar units. Rudolfomycin inhibits the growth of mammalian tumors and exhibits antibacterial activity against Gram-positive bacteria. Rudolfomycin can be used in the research of leukemia and Gram-positive bacterial infections.