Microbiologia/Virologia

<p>Antifungalagent 127 (Compound 6c) is an antifungal agent with potent inhibitory activity against Botrytis cinerea and Rhizoctonia solani.</p>

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].

NITD-688 is a pan-serotype inhibitor targeting the dengue virus NS4B protein, effective through oral administration.

NBTIs-IN-5 inhibits Mycobacterium abscessus DNA with IC50 1.5μM, halts growth at MIC90 0.4μM.

ZK-316 is a potent and broad-spectrum NNRTI inhibitor with an EC50 range of 0.99 to 75.1 nM. It is applicable for HIV research.

(S)-ZG197 is a compound that acts as a highly selective activator of the Staphylococcus aureus Caseinolytic Protease P (Sa ClpP), demonstrating efficacy at a

BRD-K98645985: BAF inhibitor, binds ARID1A, reverses HIV-1 latency, EC50 ~2.37μM, alters nucleosome placement.

<p>DIDS inhibits anion exchangers reversibly then irreversibly and blocks RAD51.</p>

CYP2C19-IN-1: potent CYP2C19 inhibitor, non-genotoxic, non-hepatotoxic, blocks RdRP (Ki: 6.16 μM), useful for ZIKV research.

<p>epi-D-Captopril (epi-D-SQ 14225) is a stereoisomer of Captopril and functions as an inhibitor of metallo-beta-lactamases (MBLs). The IC50 values of epi-D-Captopril for NDM-1, IMP-1, and VIM-2 are 64 μM, 173 μM, and 5.5 μM, respectively. This compound holds potential for research in MBLs-related antibiotic-resistant infections.</p>

<p>RdRP-IN-5 (compound 20), a potent inhibitor of the influenza virus RNA-dependent RNA polymerase (RdRP), has potential application in influenza research [1].</p>

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

<p>PFK-IN-1 (compound 1) is an inhibitor of 6-phosphofructo-1-kinase (PFK), demonstrating IC50 values of 0.41 and 0.23 μM against T. brucei and T. cruzi PFK, respectively, and an ED50 of 15.18 μg/mL for T. brucei. The compound has a half-life of 9.7 minutes in rat liver microsomes and 408 minutes in mouse liver microsomes.</p>

<p>HBV-IN19 TFA suppresses HBsAg, hampers HBV infection, and aids in HBV research.</p>

<p>LpxA-IN-1, a novel UDP-N-acetylglucosamine acyltransferase (LpxA) inhibitor exhibiting potent activity (IC 50 2 nM), effectively targets Pseudomonas aeruginosa</p>

<p>Uridine 3′,5′-diphosphate (3′,5′-UDP; Compound pUp) serves as a competitive RNase inhibitor [1].</p>

BDM91288, an orally active AcrB efflux pump inhibitor of pyridinium piperazine, enhances the in vivo efficacy of levofloxacin in treating Klebsiella pneumoniae pulmonary infection in mouse models [1].

<p>Enzyme-IN-3 disodium (compound 7) is a selective inhibitor of Mycobacterium tuberculosis shikimate kinase with an IC50 of 1.6 μM. Additionally, Enzyme-IN-3 disodium exhibits antibacterial properties.</p>

RhlR antagonist 1: IC50 of 26 μM, selective for RhlR, inhibits P. aeruginosa biofilm and virulence factors.

PptT-IN-3 (5p), an inhibitor of PptT in Mycobacterium tuberculosis, IC50=3.5μM, is key for TB research.

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

<p>Pks13-TE inhibitor 4 (compound 44) is a potent inhibitor from the thiazole series that effectively targets Pks13 to combat tuberculosis (TB) and addresses drug resistance.</p>

HBV-IN-11 is a potent inhibitor of HBsAg secretion (EC50: 0.46 μM).

Methyl piperazine-2-carboxylate (compound 4) is a potent activator of METTL3/METTL14/WTAP. It enhances the production of HIV-1p24 viral particles and increases the level of N6-methyladenosine in the viral RNA genome.

BRD-4592 is an allosteric inhibitor targeting tryptophan synthase (TrpAB) of Mycobacterium tuberculosis. It binds at the α-β subunit interface of TrpAB, with an IC50 of 70.9 nM for the α subunit and 22.6 nM for the β subunit.

<p>DNA crosslinker 6 (compound 1) is an anti-mitotic agent known for its strong binding affinity to AT-DNA and inhibition of AT-hook 1 binding to DNA (IC50=0.03 µM). Additionally, it exhibits anti-protozoal activity, effectively inhibiting T. brucei with an EC50 of 0.83 µM.</p>

<p>VNI is an effective inhibitor of CYP51. It suppresses sterol synthesis in Trypanosoma cruzi, exhibiting anti-Trypanosoma cruzi activity.</p>

TAN-1057C is a potent antibiotic with antimicrobial activity against both Gram-negative and Gram-positive bacteria, including Methicillin-resistant Staphylococcus aureus (MRSA).

MBL-IN-5 is an inhibitor of metallo-β-lactamase (MBL). It effectively suppresses three clinically significant B1 subfamily MBLs: NDM-1, VIM-1, and IMP-1 with IC50 values of 0.05 nM, 14 nM, and 21 nM respectively. MBL-IN-5 notably enhances the efficacy of carbapenem antibiotics against MBL-producing clinical strains and, when combined with IPM antibiotics, significantly reduces bacterial load in a thigh infection model.

<p>PfCLK3-IN-1 (Compound 4) serves as a covalent inhibitor of the malaria parasite CLK3 (Pf CLK3) under alkaline conditions, with a pEC50 of 7.1. It inhibits the maturation of gametocytes during the sexual stage of the parasite, thereby hindering transmission. Additionally, PfCLK3-IN-1 effectively suppresses the Dd2-B2 clone of the malaria parasite, exhibiting an IC50 of 239.5 nM.</p>

<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>

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

Lentiginosine is a selective amyloglucosidase inhibitor.

<p>20S Proteasome-IN-4: brain-penetrant, parasite-specific, oral, inhibits T.b. brucei proteasome (IC50: 6.3nM), for HAT research.</p>

MT0703 is a cephalosporin antibiotic featuring an aminothiazolylglycyl moiety with a 1,5-dihydroxy-4-pyridinone-2-carbonyl group, displaying potent activity against Pseudomonas species.

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

AB25583 is a small molecule inhibitor of Polθ helicase (Polθ-hel) with an IC50 of 6 nM. It selectively kills cells deficient in BRCA1/2 and synergizes with Olaparib in cancer cells harboring pathogenic BRCA1/2 mutations. AB25583 can be utilized in tumor research.

A 76889 is an inhibitor of HIV-1 protease.

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

KPC-2-IN-2 (6c) inhibits KPC-2 enzyme in Klebsiella pneumoniae (Ki 0.038 μM) and boosts cefotaxime in E. coli KPC-2.

<p>SARS-CoV-2-IN-99 (compound 58) is an inhibitor of the main protease of SARS-CoV-2.</p>

TCMDC-136230 is a novel inhibitor of Plasmodium calcium kinetics with minimal inhibition of haemoglobin crystallisation.

<p>Compound 174 (Compound 5g), an antibacterial agent, exhibits potent anti-infective properties in vivo along with appreciable pharmacokinetic profiles. This highly active substance demonstrates favorable biofilm removal capabilities, low hemolysis, and acceptable mammalian cell toxicity [1].</p>

3-Deazaguanosine (C3Guo) exhibits potent antiviral activity against SARS-CoV-2 with an EC50 of 1.14 μM and a CC50 greater than 200 μM in Vero E6 cells. It has the potential to prevent COVID-19.

Neuraminidase-IN-4 inhibits neuraminidase (EC50: 1.59 μM) and has strong anti-H5N1 activity.

<p>ZK-806450 is a compound with antiviral properties. It exhibits high binding potential to the allosteric site of the SARS-CoV-2 3CL protease and is capable of specific and stable interaction with the GAG site of the dengue virus envelope protein.</p>

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.

(±)-Tuaimenal A ((+)-1) is a secondary metabolite and a derivative of Sesamol. It exhibits potent inhibitory activity against SARS-CoV-2 3CLpro, with an IC50 of 33.3 μM. (±)-Tuaimenal A is applicable in research related to SARS-CoV-2 infection.

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.

<p>D-G23 is a selective RAD52 inhibitor. It disrupts RAD52-mediated DNA repair pathways and suppresses the growth of cancer cells deficient in BRCA1 and BRCA2. D-G23 shows promise for research into homologous recombination-related cancers caused by BRCA1/2 mutations, such as hereditary breast and ovarian cancers.</p>

PptT-IN-1, a potent PptT inhibitor (IC50: 2.8 μM), shows promise for tuberculosis research.

Pol I-IN-1 is a powerful inhibitor of RNA polymerase I (Pol I), specifically targeting the large catalytic subunit RPA194, demonstrating an inhibition

Faldaprevir is an orally effective, selective, non-covalent HCV NS3/4A protease inhibitor with high inhibitory activity against HCV 1a and 1b genotype.

<p>Benzohydroxamic acid (BHA) is a chitin deacetylase (CDA) inhibitor with notable antifungal properties. It displays Ki values of 8.31 μM against Verticillium dahliae CDA and 9.83 μM against Puccinia striiformis f. sp. tritici CDA. BHA can restore the defense responses in infected host plants by upregulating the expression of defense-related genes, thereby reducing fungal growth and proliferation within the plants. It is applicable in the research of agricultural fungal diseases, such as cotton wilt and wheat stripe rust, caused by pathogens like Verticillium dahliae and Puccinia striiformis.</p>

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].

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

Plevitrexed, an oral TS inhibitor (Ki: 0.44 nM), targets α-folate receptor & reduced folate carrier, treats gastric cancer.

Antibacterialagent 281 (Compound 95,186) effectively inhibits the growth of GAS by binding to the ligand-binding pocket of SPs0871, competing with the ligand. It exhibits concentration-dependent growth inhibition against Streptococcus pyogenes (S. pyogenes).

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

OPC-167832: oral dprE1 inhibitor, IC50 0.258 μM, anti-tuberculosis, for Mycobacterium tuberculosis research.

Calpain Inhibitor-2, lipophilic, inhibits calpain; shows anti-proliferative effects on melanoma, PC-3 cells; blocks 80% DU-145 cell invasion.

<p>TKB272 is an orally active antiviral agent that selectively targets the main protease (Mpro) of SARS-CoV-2, effectively inhibiting the infection and replication of various strains, including Omicron variants (such as XBB.1.5 and EG.5.1). It exhibits an enzyme inhibitory activity with an IC50 of 0.7 µM against SARS-CoV-2WK-521 Mpro and shows potent antiviral activity at the cellular level with an EC50 as low as 2.6 nM in HeLahACE2-TMPRSS2 cells against the BQ.1.1 strain. TKB272 also has a CC50 of 98 µM, indicating low cytotoxicity. Furthermore, it demonstrates a significant suppression of SARS-CoV-2XBB.1.5 replication in the B6.Cg-Tg(K18-hACE2)2-Prlmn/J transgenic mouse model, suggesting potential use in the research of SARS-CoV-2 infections.</p>

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].

Antibacterial Agent 172 (Compound 6a), a <i>Clostridioides difficile (Cd) SpoVD inhibitor with an IC50 value of 89 nM, effectively inhibits the sporulation of Clostridioides difficile. It is useful for research on bacterial infections [1].

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

<p>FWM-1 blocks SARS-CoV-2 NSP13, hinders ATP binding, with -328.6 kcal/mol binding energy.</p>

<p>Saphenamycin is an antibiotic from a strain of Streptomyces.</p>

Purine PRTase-IN-2 inhibits Pf, Pv, Tbr PRT; Ki: 30, 20, 2 nM.

<p>FPI-1465: Dual serine-β-lactamase &amp; PBP inhibitor; IC50 PBP2=1.0 μg/mL; Kd CTX-M-15=0.011μM, OXA-48=5.3μM.</p>

<p>Antibacterialagent 262 (compound A23) is a potent antibacterial agent that inhibits the activity of Xanthomonas oryzae pv oryzae. It also disrupts the integrity of bacterial cell membranes by preventing the formation of biofilms of Xanthomonas oryzae pv oryzae.</p>

Eprociclovir Na (A-5021) is 15x stronger than acyclovir at inhibiting herpesviruses, showing promise for EHV1 and herpetic keratitis treatment.

Nikkomycin Z (Nikkomycin Z from Streptomyces tendae) is a competitive chitin synthase inhibitor.It inhibitor of the growth of filamentous fungi, insects,

(R)-ZG197: Activates Sa ClpP (EC50=1.5μM) & Hs ClpP (EC50=31.4μM); selective for Sa ClpP.

RNase L ligand 3 is an RNase L ligand employed in the synthesis of F3-PEG8-RiboTAC.

<p>BAR-072 is a small molecule inhibitor targeting TraE with a KD value of 2.7 µM. It significantly suppresses the transfer of the antibiotic resistance-associated plasmid pKM101. BAR-072 holds promise as a candidate molecule for research in disease areas related to infection and resistance control, by inhibiting the spread of bacterial resistance genes.</p>

Glutamate-5-kinase-IN-1 is a potent G5K inhibitor with a 4.1 μM MIC, showing promise in anti-TB research.

MtDTBS-IN-1 is a notably potent binder (K_D = 57 nM) and inhibitor (K_i = 5 μM) of MtDTBS.

<p>WRN inhibitor 7 (Compound h6), a potent inhibitor of Werner syndrome helicase, demonstrates effective suppression of WRN's helicase and ATPase activities with IC50 values of 9.8 μM and 15.8 μM, respectively. This compound is utilized in the study of microsatellite instable (MSI) cancers [1].</p>

HBV-IN-12: strong HBsAg & HBV DNA inhibitor; EC50 0.001-0.05 μM & 0.001-0.02 μM respectively. (WO2021204252A1)

ACHN-975: potent LpxC inhibitor with subnanomolar activity; targets many gram-negative bacteria; MIC ≤1 μg/mL.

<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>

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.

PCNA-IN-1 (Compound 11) is an inhibitor of the PCNA/PIP-box interaction, with an IC50 greater than 50 μM. It is applicable in cancer research.

<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>

<p>DC-159a, an 8-methoxy fluoroquinolone, possesses broad-spectrum antibacterial activity, with a particular efficacy against Gram-positive pathogens. The MIC90 values for DC-159a are 0.5 μg/mL against Streptococcus anginosus group, 4 μg/mL against Clostridium difficile, and 2 μg/mL against Bacteroides fragilis.</p>

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

Anticaries agent-1 (Compound 21b) is utilized as an anticaries agent. It effectively inhibits biofilm formation with an IC50 of 77 μM and restricts the growth of S. mutans.

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

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

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

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

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.

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

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

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

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

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

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).

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

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.