Microbiologia/Virologia

Kalafungin inhibits various fungi, yeasts, protozoa, and gram-positive bacteria, less so for gram-negative bacteria.

Anti-ToCV agent 1 can be used as a potential anti-ToCV drug.

Antiviral agent 7 is a peptide-based coating that kills viruses.

4-Chloropyridine acts as an inhibitor of Nicotinamide N-methyltransferase (NNMT). Serving as a substrate for NNMT, this compound enhances the electrophilicity at the C4 position through methylation of the pyridine nitrogen. This modification facilitates an aromatic nucleophilic substitution reaction with the non-catalytic cysteine (C159) in NNMT, ultimately leading to suicidal activity inhibition of the enzyme. 4-Chloropyridine is a promising candidate for the development of activity-based probes targeting NNMT functions.

SARS-CoV-2 Mpro-IN-31 (Compound 18) is an inhibitor of SARS-CoV-2 MPro with an IC50 of 11 nM. Additionally, this compound effectively inhibits the enzymatic activity of the cysteine proteases cathepsin B and cathepsin L, with IC50 values of 24 nM and 1.8 nM, respectively.

HC2210 exhibits antibacterial effects against Mycobacterium abscessus (Mab) with an EC50 of 0.72 µM. It modulates the expression of Mab genes associated with oxidative stress and lipid metabolism. HC2210 is applicable for studies on Mab infections.

UNC0638 hydrate selectively inhibits G9a and GLP histone methyltransferases with IC50 values of 15 nM and 19 nM, respectively. It is effective in inhibiting invasion and migration of TNBC cells in vitro. Additionally, UNC0638 hydrate acts as an inhibitor of EHMT1/2 and induces the expression of fetal hemoglobin (HbF) in cultures of human erythroid progenitor cells. Furthermore, it exhibits antiviral activity against FMDV (foot-and-mouth disease virus) and VSV (vesicular stomatitis virus), demonstrating remarkable potency and selectivity across various epigenetic and non-epigenetic targets.

SARS-CoV-2 Mpro-IN-32 (Compound 1) is a selective inhibitor of SARS-CoV-2 MPro with an IC50 value of 230 nM. In vitro, it also inhibits the replication of various SARS-CoV-2 variants.

Insecticidal agent 16 (compound A21) exhibits insecticidal activity against Plutella xylostella, with LC50 values of 1.2 and 13.2 µg/mL respectively.

SARS-CoV-2 Mpro-IN-28 (Compound 1K) is an inhibitor of SARS-CoV-2 Mpro, exhibiting an EC50 of 24 μM.

Pyriofenone (IKF-309) is an aryl phenyl ketone fungicide predominantly used to control powdery mildew on crops such as cereals, rice, fruit trees, and vegetables. It exhibits moderate efficacy against rice blast disease. Pyriofenone functions through prevention, residue activity, treatment, rainfastness, translaminar action, and fumigation.

Gougerotin is an inhibitor of protein synthesis.

Antitumor agent-75 is a novel and potent antitumor agent.

HIV-1 inhibitor-44 (compound 11l) is an HIV-1 reverse transcriptase inhibitor that exhibits activity against wild-type HIV-1 strains (EC50: 0.209 μM).

WRN inhibitor 11 (Example 17) is an orally effective inhibitor of WRN helicase, with an IC50 of 63 nM.

<p>Piperacillin hydrate is a semisynthetic broad-spectrum β-lactam antibiotic. It exhibits potent bactericidal activity against Gram-negative bacteria and some Gram-positive bacteria by targeting penicillin-binding proteins. Piperacillin hydrate is frequently combined with the β-lactamase inhibitor Tazobactam for enhanced efficacy.</p>

Polθ-IN-5 (Compound 139) is an inhibitor of DNA polymerase theta (Polθ) that exhibits antitumor activity.

HBV-IN-31: strong cccDNA inhibitor, anti-HBV, IC50=0.13 µM HBsAg, hampers cell growth.

<p>MDL-860 is a broad-spectrum antiviral compound targeting small RNA viruses and exhibits low cytotoxicity to human cells. MDL-860 is useful for research into viral infections.</p>

RAD51-IN-6, a potent RAD51 gene inhibitor, may help research mitochondrial disorders. (WO2021164746A1, cmpd 23)

LasR-IN-2 blocks LasR via H-bond with TRY-56, useful in bacterial infection and CF research.

<p>9-tert-Butyldoxycycline exhibits immunomodulatory activity by altering the polarization state of polymorphonuclear neutrophils and ameliorating inflammatory responses in ischemia-reperfusion injury models. Additionally, 9-tert-Butyldoxycycline serves as a ligand for the "Tet-On" inducible gene expression system.</p>

<p>Fenbenicillin (Phenbenicillin) potassium is a semi-synthetic penicillin with antibacterial spectrum activity.</p>

Compound 7b (Antibacterial agent 99) is an effective agent with antibacterial, antifungal properties and no haemolytic activity.

<p>ZG297 is an agonist of Staphylococcus aureus ClpP (SaClpP) with an EC50 of 0.26 μM. It degrades SaFtsZ and inhibits bacterial cell division, exhibiting antistaphylococcal activity by inhibiting S. aureus 8325-4 and MRSA strains, with a MIC range of 0.063-256 μg/mL. In mouse models, ZG297 demonstrates anti-infective properties.</p>

<p>Alpibectir has antibacterial activity [1].</p>

<p>Doxazosin impurity 12 acts as an inhibitor of CTX-M β-lactamase (Beta-lactamase) with a Ki value of 0.7 mM against CTX-M.</p>

SARS-CoV-2-IN-100 (Compound 172) is a broad-spectrum antiviral agent against various SARS-CoV-2 variants. It works synergistically with Nirmatrelvir to reduce the risk of antiviral resistance.

HIV-1 inhibitor-18 blocks HIV-1 capsid, acts on NL4-3 strain (EC50: 2.57 μM), has low cytotoxicity (MT-4 CC50: >8.55).

CHS inhibitor 9: a broad-spectrum antifungal for studying fungal infections.

Antifungalagent 125 (compound 4H) is a potent succinate dehydrogenase (SDH) inhibitor with an IC50 of 3.59 μg/mL and exhibits fungicidal activity against Alternaria alternata.

Chitin synthase inhibitor 8 is a chitin synthase (CHS) inhibitor with broad-spectrum antifungal effects that can be used in studies related to fungal infections

Antitumor agent-74, a quinazoline derivative, inhibits DNA, arrests cell cycle, and induces apoptosis with agent-75.

Deprodone is an active compound that inhibits key processes such as bacterial cell wall synthesis by interacting with hydrolase and transferase proteins of methicillin-resistant Staphylococcus aureus (MRSA). It is applied in the research of MRSA infections, inflammatory skin diseases, intestinal disorders, and fatty acid metabolism disorders.

NHS-modified coumarin, 4,5'-Dimethylangelicin-NHS, shows photochemical activity & photosensitivity.

<p>CDA-IN-1 (Compound vs#2-1) is an inhibitor of chitin deacetylase (CDA) that exhibits antifungal activity. By inhibiting fungal CDA activity, it activates plant immune responses and leads to the accumulation of reactive oxygen species (ROS), hindering fungal growth. At a concentration of 100 μM, CDA-IN-1 achieves inhibition rates of 86.9% on P. xanthii's PxCDA1 and 74.5% on PxCDA2. CDA-IN-1 is applicable in research on fungal plant diseases, such as cucumber powdery mildew and tomato gray mold.</p>

CDA-IN-2 (Compound VS#2-3) is an inhibitor of chitin deacetylase (CDA) that exhibits antifungal properties. At a concentration of 100 μM, it inhibits P. xanthii's CDAPxCDA1 by 83.7% and PxCDA2 by 74.5%. CDA-IN-2 is applicable in research on agricultural fungal diseases, including resistance to powdery mildew and gray mold.

SP-471 is a potent inhibitor of dengue virus (DENV) protease (IC50: 18 μM) and inhibits the inter- and intramolecular protease processes of DENV.

Antibacterial agent 76 (compound 9) is a potent antibacterial agent.

<p>Mt KARI-IN-1 inhibits Mtb KARI with a 3.06 μM Ki, targeting tuberculosis.</p>

MsbA-IN-5 (compound 40) is a potent and highly selective inhibitor of MsbA (IC50: 2 nM). MsbA-IN-5 can be used in Gram-negative studies.

EFdA-TP tetrasodium is a potent HIV-1 inhibitor that blocks DNA synthesis as an ICT or DCT.

MraY-IN-3 (12a) is a potent inhibitor of the bacterial translocase MraY (IC50: 140 μM). 46 μg/ml).

<p>Anti-MRSA agent 19 (Compound 1) is an antibiotic that exhibits activity against Staphylococcus aureus. It is active against 40 clinical isolates from the CDC, representing diverse bacterial species with various resistance factors, including resistance to vancomycin, aminoglycoside/tetracycline, and oxazolidinone (median MIC=4 μg/mL).</p>

Isazofos is a broad-spectrum organophosphate insecticide and nematicide effective in controlling a variety of lawn pests, such as nematodes (Radopholus similis). It also demonstrates efficacy in managing rice gall midge.

Mer-NF5003F (Stachybotrydial; F 1839M) is a sesquiterpene isolated from Stachybotrys, effective in inhibiting avian myeloblastosis virus (AMV) protease with an IC50 of 7.8 μM. It also inhibits sialyltransferases ST6N, ST3O, and ST3N with IC50 values of 0.61, 6.7, and 10 μg/mL, respectively, and fucosyltransferase with an IC50 of 11.3 μg/mL. Additionally, Mer-NF5003F exhibits in vitro activity against herpes simplex virus HSV-1 (IC50=4.32 μg/mL) and multi-drug-resistant Plasmodium falciparum K1 strain (IC50=0.85 μg/mL).

SARS-CoV-2-IN-24 blocks PLpro, altering its shape and stopping virus replication—useful for SARS-CoV-2 research.

(-)-15-Deoxyspergualin is a potent antitumor agent that demonstrates significant inhibition against mouse leukemia L-1210.

MB076 is an innovative heterocyclic triazole designed with enhanced plasma stability. It effectively inhibits seven distinct Class C Acinetobacter-derived cephalosporinases (ADCs) β-lactamase variants with K i values less than 1 μM. Additionally, MB076 demonstrates a synergistic effect when combined with various cephalosporins to restore pBCSK(−) susceptibility [1].

<p>AV-5080 is an orally active neuraminidase (neuraminidase) inhibitor that is utilized in the research of both Type A and Type B influenza viruses.</p>

Compound 20P is a potent antibacterial, inhibits biofilms with IC50 4.5 μM, and reduces pyocyanin at IC50 8.6 μM.

<p>Erythromycin B exhibits antimalarial activity by effectively inhibiting the asexual growth of Plasmodium falciparum.</p>

<p>UMPK ligand 1 (ZINC07785412) serves as a ligand for uridine monophosphate kinase (UMPK).</p>

<p>Streptothricin F is a biochemical.</p>

AG-7404: strong protease inhibitor, fights poliovirus, EC50 0.080-0.674 μM, effective on V-073-resistant strains.

SMCypIC31, a non-peptide cyclophilin inhibitor, blocks PPIase at 0.1 μM IC50 and fights various HCV genotypes (EC50: 1.20-7.76 μM).

Rubropunctatin is a monascus pigment with very potent cancer cell proliferation inhibitory effects.

Antifungal agent 39 (Compound 9h) is a broad-spectrum antifungal agent.

<p>RAD51-IN-5 blocks RAD51; may aid mitochondrial disorder research. (WO2021164746A1, cmpd 3)</p>

<p>AK-968-11563024 is an inhibitor targeting marine V. vulnificus NAT [(VIBVN)NAT] with an IC50 value of 18.86 µM. In V. vulnificus, NAT (aromatic amine N-acetyltransferase) plays a role in drug metabolism, contributing to drug resistance. Thus, AK-968-11563024 can be used for research related to drug tolerance.</p>

<p>Valopicitabine is an effective prodrug of the effective anti-HCV drug 2'-C-methylcytidine and can be used as a promising antiviral drug for the study of chronic</p>

DHFS-IN-1 (Compound 3) is an inhibitor of dihydrofolate synthetase (DHFS) with an IC50 of 2.6 μM. It is applicable for research into infectious diseases related to bacterial folate synthesis.

CCC-0975 is an inhibitor of hepatitis B virus (HBV) with an EC50 of 10 μM. It interferes with the conversion of relaxed circular DNA (rcDNA) to covalently closed circular DNA (cccDNA) and reduces cccDNA and its precursor deproteinized rcDNA (DP-rcDNA), without promoting their degradation inside cells. CCC-0975 holds potential for chronic hepatitis B research.

DL-2-Aminopimelic Acid acts as a weak agonist for glutamate receptors and also reduces the sensitivity of leech glutamate receptors to glutamate.

Metallo-β-lactamase-IN-16 (compound 18), a sulfone-containing metallo-β-lactamase inhibitor, exhibits antimicrobial activity. It effectively inhibits various metallo-β-lactamases, including NDM-1 (New Delhi metallo-β-lactamase-1), IMP-1 (imipenemase-1), VIM-1 (Verona Integron-encoded Metallo-β-lactamase), and VIM-2. The IC50 values for these enzymes are 0.16 nM, 0.23 nM, 0.31 nM, and 1.0 nM respectively.

A 76889 is an inhibitor of HIV-1 protease.

Aquayamycin is an anthraquinone derivative and inhibitor of the enzyme tyrosine hydroxylase..

NNRT-IN-5 (compound 10d) is an orally available non-nucleoside reverse transcriptase (Reverse Transcriptase) inhibitor.

Deoxythymidine-5'-triphosphate-d15 (dTTP-d15) dilithium is a deuterium-labeled form of deoxythymidine-5'-triphosphate. Deoxythymidine-5'-triphosphate (dTTP) is a triphosphate nucleotide utilized in DNA synthesis.

AN-12-H5 is an anti-enteroviral compound that targets the replication process of PV and EV71 viruses.

DNA polymerase-IN-6 (Compound 27) exhibits inhibitory activity against DNA polymerase, with EC50 values of 0.33 µM for HCMV, 1.9 µM for HSV-1, 0.76 µM for HSV-2, and 0.066 µM for EBV.

Ambelline has antitumor activity.

Apalcillin (PC-904) combined with Ro 48-1220 (a penicillin sulfone β-lactamase inhibitor) exhibits broad-spectrum activity against Gram-negative aerobic and anaerobic bacteria, excluding Klebsiella acid-producing strains. This combination shows strong efficacy against β-lactamase-producing Moraxella catarrhalis, Haemophilus influenzae, and Neisseria gonorrhoeae with an effective MIC of 11 μg/mL. Additionally, it inhibits Pseudomonas aeruginosa, Stenotrophomonas maltophilia, and Acinetobacter at low MICs (0.25 to 4 μg/mL). However, it has limited efficacy against oxacillin-resistant staphylococci and some Gram-positive bacteria. Apalcillin/Ro 48-1220's effectiveness against certain extended-spectrum β-lactamase-producing Escherichia coli is comparable to piperacillin/tazobactam, though it is less effective against SHV-type β-lactamases.

DPC 684 is a potent and selective HIV-1 protease inhibitor with an IC90 of 5.7-40 nM and a Ki of 0.021 nM. It competitively inhibits HIV-1 protease, preventing viral polyprotein cleavage. Compared to cellular proteases, DPC 684 shows high selectivity for retroviral proteases. The compound exhibits low protein binding and offers broad-spectrum inhibition against various wild-type and mutant HIV-1 proteases, with an IC90 of 1.9-6.3 nM. DPC 684 is significant for HIV research.

LasR antagonist 1 (Compound 7), with an IC50 of 0.4 μM, is an effective antagonist of LasR that modulates quorum sensing (QS) in the opportunistic pathogen Pseudomonas aeruginosa [1].

TBAJ-5307 is a broad-spectrum anti-non-tuberculous mycobacteria inhibitor that targets the FO-domain of the engine, preventing rotation and proton-translocation. TBAJ-5307 inhibits non-tuberculous mycobacteria in vitro and in vivo [1].

NDM-1 Inhibitor-5 (compound 57) exhibits strong inhibition of NDM-1, characterized by a K i of 2.5 μM. Additionally, it demonstrates synergistic antibacterial effects when combined with meropenem [1].

Hyalodendrin ((+)-Hyalodendrin) acts as a fungal growth inhibitor, specifically targeting wood decay fungi. It exhibits low phytotoxicity and possesses an acute toxicity (LD50) level of 75 mg/kg in mice.

<p>Metallo-β-lactamase-IN-13 (Compound 13i) serves as a pan Metallo-β-Lactamase inhibitor with extended activity against Gram-negative (GN) bacteria expressing metallo-β-lactamases. It exhibits antibacterial properties effective against P. aeruginosa [1].</p>

<p>BioA-IN-1 (Compound 15) is an inhibitor of the key enzyme BioA in the biotin biosynthesis pathway of Mycobacterium tuberculosis, with an IC50 value of 0.195 μM. It exhibits antibacterial activity without cytotoxicity.</p>

<p>Altersolanol A (Stemphylin; NSC 173943) demonstrates effective antimicrobial properties, inhibiting the growth of Bacillus subtilis and Pseudomonas aeruginosa with a minimum inhibitory concentration (MIC) ranging from 25-100 μg/mL. Additionally, it shows no phytotoxic effects on Taxus at a concentration of 4 μg/μL.</p>

Compound 2d (Antibacterial agent 188) serves as an antibacterial agent that suppresses the activity of dermatophytes [1].

HIV-1 Inhibitor-61 (2c) serves as a potent inhibitor of HIV-1 reverse transcriptase, exhibiting an EC50 value of 0.07 nM in NL4-3 wt MT-4 cells [1].

<p>iPAF1C is a powerful inhibitor of the polymerase-associated factor 1 complex (PAF1C) and exhibits anti-HIV activity [1].</p>

<p>HIV-1 inhibitor-14: potent, broad HIV-1 RT inhibitor. IC50=0.14μM. Effective against wild-type and resistant strains, EC50=5.79-28.3nM.</p>

G092 is a potent inhibitor of MsbA. MsbA is an ABC transporter protein. G092 has potential for antibacterial drug research.

MraY-IN-2 (compound 6) is an effective inhibitor of bacterial transposase MraY (IC50=4.5 μ M), and can be used for antibacterial research.

Rupintrivirvr (AG7088) is a mimetic peptide inhibitor of rhinovirus (HRV) 3C cysteine protease with antiviral activity for the study of viral infections.

IDX184 is a potent, orally active, targeted HCV polymerase inhibitor and nucleoside polymerase.IDX184 effectively inhibits HCV polymerase (IC50=0.31 μM, Ki=52.3

CTPS1-IN-1 is a cytidine-5′ triphosphate synthase 1 (CTPS1) inhibitor with potential antitumor activity and can be used to study autoimmune diseases.

JTK-109 is an inhibitor of hepatitis C virus NS5B RNA-dependent RNA polymerase inhibitor and inhibits G1b and G3a subgenomic replicons and recombinant enzymes.

Cap-dependent endonuclease-IN-1: potent, oral inhibitor with antiviral properties against influenza.

<p>Eravacycline dihydrochloride (TP-434-046) is a potent and broad-spectrum antibacterial agent against six E. coli (MICs: 0.125-0.25 mg/L).</p>

HRO761 is a potent Werne r syndrome RecQ DNA deconjugase (WRN) inhibitor that can be used to study cancers such as colon and stomach cancer.

<p>D75-4590, a β-1,6-Glucan synthetase inhibitor, combats fungal infections by targeting cell walls.</p>

<p>LeuRS-IN-1 hydrochloride is a Mycobacterium tuberculosis leucyl-tRNA synthetase inhibitor with antileukemic activity and antimalarial activity.</p>

<p>CCF0058981: noncovalent inhibitor for SARS-CoV-2 &amp; -1 proteases; IC50s: 68 nM (SC2) &amp; 19 nM (SC1). Potential COVID-19 research use.</p>

Vaniprevir is a competitive HCV NS3/4A protease inhibitor, an antiviral(hepatitis C virus) drug that acts directly and blocks the viral replication process.

<p>Tigemonam is a monobactam, a novel orally administered monobactam that protects against gram-negative aerobic bacterial pathogens. Cost-effective and quality-assured.</p>

FGI-106 tetrahydrochloride demonstrates potent inhibitory activity across a broad spectrum of viruses, including those causing hemorrhagic fevers such as Ebola

Durlobactam sodium salt (ETX2514) have an IC50 values of 4, 14 and 190 nM against class A KPC-2, class C AmpC and class D OXA-24.Cost-effective and quality-assured.

SR 11302 is an inhibitor of activator protein-1 (AP-1).

Reutericyclin is a unique tetramic acid, is an antibiotic produced by some strains of Lactobacillus reuteri.

L-Eflornithine is an irreversible ornithine decarboxylase (ODC) inhibitor with a KD of 1.3±0.3 µM, and a Kinact of 0.15±0.03 min-1. L-Eflornithine monohydrochloride (L-DFMO monohydrochloride) is an enantiomer of Eflornithine.

Haloxon is an organophosphorus anthelmintic. Haloxon is used against nematodes of the abomasum and small intestine in ruminants.

<p>Terpineol possesses antifungal activity against Trichophyton mentagrophytes, it also exhibits strong antimicrobial activity against periodontopathic and cariogenic bacteria. α-Terpineol (Terpineol) shows anticonvulsant, and anti-inflammatory activities, it inhibits the gene expression of the IL-6 receptor.</p>