Microbiologia/Virologia

<p>N6-Benzoyl-2'-deoxyadenosine monohydrate is a nucleoside analogue that helps diagnose bacterial infections by binding to double-stranded DNA and altering its structure, which can subsequently be detected using electrophoresis.</p>

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

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

<p>Cetefloxacin (E 4868) is a broad-spectrum antibacterial antibiotic with a minimum inhibitory concentration (MIC) ranging from 0.007 to 8 µg/ml. In mice, cetefloxacin demonstrates favorable pharmacokinetic properties and provides protection against Escherichia coli, Pseudomonas aeruginosa, Staphylococcus aureus, and Streptococcus pneumoniae.</p>

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

<p>Neuraminidase-IN-18 (compound N5), a novel polyheterocyclic neuraminidase (NA) inhibitor, demonstrates significant inhibitory activity against H5N1 NA, with an IC 50 of 0.14 μM against the wild-type H5N1 NA and 0.27 μM against the H5N1-H274Y mutant NA. This compound effectively binds to NAs, inhibiting influenza virus replication at the cellular level [1].</p>

<p>N-Cbz-L-Cysteine (Cbz-cysteine) (compound 5) functions as a potent inhibitor of β-lactamase II, exhibiting a K i value of 97 µM [1].</p>

<p>MA220607 is an antibacterial agent characterized by low hemolytic toxicity and a dual-target mechanism of action (MOA). It promotes FtsZ protein polymerization, increases bacterial membrane permeability, and inhibits biofilm formation. The resistance rate of MA220607 is low, with MICs against Gram-positive bacteria and Gram-negative bacteria ranging from 0.062-2 μg/mL and 0.5-4 μg/mL, respectively [1].</p>

<p>L 689065 is a 5-lipoxygenase inhibitor.</p>

<p>Ceftolozane TFA is a cephalosporin class antibiotic (antibiotic) designed to inhibit Gram-negative bacterial infections. Additionally, it can be utilized in the synthesis of novel antibiotics (antibiotic) that are more efficacious and safer.</p>

<p>DRF-8417 is an oxazolidinone antibiotic, active against both Gram-positive bacteria and fastidious Gram-negative bacteria. The MIC50 and MIC90 values of DRF-8417 for Gram-positive pathogens range between 0.06-1 mg/L.</p>

<p>DXR-IN-3 is an anti-Toxoplasma DXR inhibitor. It exhibits in vitro activity against the TgDXR enzyme, with an IC50 value of 0.62 μM and a Ki value of 0.19 μM. Furthermore, DXR-IN-3 can inhibit the proliferation of Toxoplasma, displaying an IC50 value of 5.46 μM.</p>

<p>Carbonic anhydrase inhibitor28 (Compound 11) serves as an inhibitor for the Pseudomonas aeruginosa carbonic anhydrase. It exhibits antibacterial activity, with minimum inhibitory concentration (MIC) and minimum bactericidal concentration (MBC) values of 0.5 and 1 μg/mL, respectively, against P. aeruginosa. Carbonic anhydrase inhibitor28 is utilized in research focused on anti-infection applications.</p>

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

<p>L-2'-Fd4C is an L-nucleoside analogue with both anti-human immunodeficiency virus (HIV) and anti-hepatitis B virus (HBV) activity [1].</p>

<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>PAV-104 inhibits the replication of SARS-CoV-2 at a MOI of 0.01. It interacts with the SARS-CoV-2 nucleocapsid (N) and disrupts its oligomerization, thereby preventing particle assembly.</p>

<p>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.</p>

<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>

<p>Antibacterial agent 169 (Compound 28), a pyrrolamide-type GyrB/ParE inhibitor, exhibits antibacterial properties by inhibiting Gyrase and Topo IV in Staphylococcus aureus. It has IC 50 values of 49 nmol/L and 1.513 μmol/L, respectively [1].</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>

<p>Gln-AMS (TFA) is a type Ia amido-tRNA synthetase (AARS) inhibitor with a Ki value of 1.32 μM for glutaminyl-tRNA synthetase.</p>

<p>Beclabuvir blocks HCV NS5B polymerase at thumb site 1, effective on genotypes 1, 3, 4, 5 with IC50 &lt;28 nM.</p>

<p>Arterolane, an adenosine triphosphatase inhibitor, is used potentially for the treatment of malaria.</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>N'-(2-Fluorophenyl)pyrazine-2-carbohydrazide is a Ole1p desaturase inhibitor as well as antifungal agent [1].</p>

<p>SAG-524 is a powerful oral small molecule that inhibits HBV viral replication. In HepG2.2.15 cells, SAG-524 reduced HBV-DNA and HbsAg levels in the supernatant with IC₅₀ values of 0.92 nM and 1.4 nM, respectively [1].</p>

<p>PptT-IN-2 inhibits PptT enzyme crucial in tuberculosis, with 2.5 μM IC50, showing potential in TB research.</p>

<p>Metallo-β-lactamase-IN-14 (Compound 17e) serves as an inhibitor of Metallo-β-Lactamase, displaying inhibitory activity against VIM-1 and VIM-2. This compound also exhibits antibacterial effects on Gram-negative (GN) bacteria and P. aeruginosa [1].</p>

<p>MBX-1162, a bis-indole compound, has demonstrated unique substrate specificity related to MepA and MepR in studies investigating its resistance mechanisms in Staphylococcus aureus. It has not shown cross-resistance with related compounds.</p>

<p>HT1171 is a potent and selective inhibitor of the Mycobacterium tuberculosis proteasome. It exhibits strong antitubercular activity against Mycobacterium tuberculosis H37Rv, with a MIC90 of 2 μg/mL and MIC of 4 μg/mL. At a concentration of 100 μM, HT1171 shows an inhibition rate of 53.8% against normal human liver cells (L02). HT1171 is applicable in antituberculosis drug research.</p>

<p>PfPKG-IN-1, an imidazole-based inhibitor, targets the Plasmodium falciparum cyclic guanosine monophosphate-dependent protein kinase (PfPKG).</p>

<p>Antibacterialagent 261 (compound 43) is a potent inhibitor of the peptide deformylase (PDF) enzyme, demonstrating IC50 values of 2.5 nM against Staphylococcus aureus (S. aureus) and 10.6 nM against Escherichia coli (E. coli).</p>

<p>FG-2101 is a selective, orally active non-hydroxamate LpxC inhibitor with an IC50 of approximately 1 nM. It demonstrates exceptional selectivity over other bacterial and human metalloproteases. FG-2101 is useful for studying infections caused by Gram-negative bacteria, including resistant strains.</p>

<p>Antibacterial agent 77 (compound 12) is an antibacterial agent [1].</p>

<p>GSK656 (GSK3036656) inhibits Mtb LeuRS with IC50 of 0.20 μM, promising for tuberculosis treatment.</p>

<p>Ibafloxacine (R835) is a fluoroquinolone antibiotic that is used exclusively in veterinary applications and shows zero good bacteriostatic effect against</p>

<p>PqsR-IN-2, potent PqsR inhibitor, curbs Pseudomonas aeruginosa communication, reduces pyocyanin, with low toxicity.</p>

<p>PRRSV-IN-1 (Compound 4s) acts as an inhibitor of the nsp4 protease of PRRSV. It has an EC50 value of 0.45 μM against PRRSV, binds to the nsp4 protease with a Kd of 29.24 pM, and exhibits an IC50 value of 80.36 pM for nsp4 protease inhibition. PRRSV-IN-1 is applicable in antiviral infection research.</p>

<p>TLR8 agonist 4 inhibits wild-type and lamivudine/entecavir-resistant HBV; IC50: 0.15 μM and 0.10 μM.</p>

<p>HCV-IN-39 is a potent oral drug inhibiting HCV, effective on GT1a (EC50: 0.259μM), GT1b (EC50: 0.434μM), GT1b CES1 (EC50: 0.069μM) replicons.</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>

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

<p>NFC nitro probe 1 (compound 18) is a chemical probe designed for the detection of Mtb, exhibiting high potency against both R-Mtb and NR-Mtb.</p>

<p>WM382, a potent dual PMIX/X inhibitor, has IC50s of 1.4 nM/0.03 nM and effective against various malaria stages.</p>

<p>Cephalosporin C exhibits relatively weak resistance to Gram-positive and Gram-negative bacteria. It is stable against penicillinase, but can be decomposed by cephalosporinase. When hydrolyzed to remove its side chain, it yields 7-amino-cefenoic acid (7-ACA), which is an essential raw material for the production of semisynthetic cephalosporins.</p>

<p>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>

<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>Antimicrobial Agent-29 (Compound C35) influences the interaction between human hemoglobin and the Staphylococcus aureus IsdB hemophore. This compound facilitates the identification of IsdB:Hb PPI inhibitors [1].</p>

<p>Imidocarb dihydrochloride monohydrate is an effective antiprotozoal agent against the parasite B. bovis (IC50: 87 μg/ml).</p>

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

<p>Colistin adjuvant-2 is a compound that acts as a potentiation agent for colistin, effectively enhancing its activity against Gram-negative bacteria [1].</p>

<p>Antifungal agent 43 inhibits biofilms with low toxicity to human cancer cells.</p>

<p>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.</p>

<p>Antibacterial agent 88 is an effective antibacterial agent against B. subtilis (MIC: 4 μg/ml) with MIC values of ≤0.0156 μg/mL for MRSA, MRSE and S. aureus.</p>

<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.</p>

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

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

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

<p>Quorum sensing-IN-9 (Compound 7d) inhibits quorum sensing in Pseudomonas aeruginosa by binding to the PqsR protein. It suppresses the expression of quorum sensing system-related genes lasB, rhlA, and pqsA, thereby preventing the production of virulence factors elastase, pyocyanin, and rhamnolipid. Quorum sensing-IN-9 disrupts the motility of P. aeruginosa, inhibits biofilm formation, and reduces the bacterium's virulence and pathogenicity. Additionally, it exhibits anti-infective activity in the Galleria mellonella larval model.</p>

<p>Pibrozelesin, a water-soluble duocarmycin B2 derivative, binds AT-rich DNA, blocking replication and inducing cell death.</p>

<p>Polθ-IN-6 (Compound 89) is an inhibitor of DNA polymerase theta (Polθ) and exhibits antitumor activity.</p>

WRN inhibitor 12 (compound 5) serves as an inhibitor for the WRN helicase.

PIQ-2 (compound 54) serves as an antiprotozoal agent, displaying potent activity against IP. falciparum 3D7 and B. divergens Rouen, with IC50 values of 9.4 nM and 1.6 nM, respectively.

<p>ZINC4497834 is an inhibitor of the main protease Mpro of SARS-CoV-2. It is utilized in research targeting the treatment of COVID-19.</p>

<p>PLpro-IN-7 (compound 83) is a novel papain-like protease (PLpro) inhibitor with an IC50 of 3 nM.</p>

<p>5-Methylcytosine hydrochloride plays a critical role in regulating gene expression, promoting genomic imprinting, and inhibiting transposon factors. It is also closely associated with translation fidelity and tRNA recognition.</p>

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

<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>

<p>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>

<p>Cap-dependent endonuclease-IN-6 (compound 13) is a Cap-dependent endonuclease (CEN) inhibitor that inhibits influenza virus.</p>

<p>Cap-dependent endonuclease-IN-10, with low toxicity &amp; good stability, effectively inhibits flu viruses and shows promise against A, B, C types.</p>

<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>

<p>Compound 5q is a potent antitubercular with low MIC90 values (0.40-23.51 μg/mL) against M. tuberculosis strains, showing minimal cytotoxicity.</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>

<p>844-TFM, a NBTI DNA gyrase blocker, IC50: 1.5 μM, kills Mycobacterium abscessus.</p>

<p>3HKT-IN-1 (Compound 17122279) is an inhibitor of Anopheles gambiae 3-hydroxykynurenine transaminase (3HKT) and is utilized in malaria research.</p>

<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>

<p>Antifungal agent 13 demonstrates significant antifungal activity against Sclerotinia sclerotiorum, achieving an EC50 of 1.25 mg/L.</p>

<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].</p>

<p>Potent, selective CHS inhibitor with 0.12 mM IC50; effective against drug-resistant fungi.</p>

<p>Diploicin is a dibenzofuran lactone compound with activity against Gram-positive bacteria, found in lichens (lichens).</p>

<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>

<p>GSK5852, an HCV NS5B inhibitor, has IC50 of 50 nM; potently fights HCV with EC50 of 3.0 nM for GT1a and 1.7 nM for GT1b.</p>

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

<p>K13787 is an acetohydroxy acid synthase (AHAS) inhibitor with antibacterial properties. It exhibits antimicrobial activity against various non-tuberculous mycobacteria (NTM) as well as clarithromycin (CLR) resistant strains.</p>

<p>MsbA-IN-3 is a potent and highly selective MsbA inhibitor (IC50: 2 nM). MsbA-IN-3 inhibits Escherichia coli activity (MIC: 35 μM).</p>

<p>TB inhibitor 4, a spirothiazolidinone from mandelic acid, blocks 98% of M. tuberculosis H37Rv under 6 μg/mL.</p>

<p>BAS-118 is a benzamide derivative exhibiting antibacterial activity. For 100 randomly selected strains of Helicobacter pylori, its MIC50, MIC90, and MIC range were ≤0.003, 0.013, and ≤0.003-0.025 mg/L, respectively. BAS-118 shows potential for research as an anti-H. pylori agent.</p>

<p>Trans-RdRP-IN-5 is a potent inhibitor of the influenza virus RNA-dependent RNA polymerase (RdRP), with applications in influenza virus research.</p>

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

<p>SARS-CoV-2-IN-106 (compound 19) is a SARS-CoV-2 papain-like protease inhibitor, displaying IC50 values of 0.44 μM for papain-like proteases and 0.18 μM for viral replication.</p>

<p>N-Nitrosonornicotine, a tobacco-specific nitrosamine, exhibits carcinogenic and mutagenic properties, and is capable of inducing micronuclei in C3A cells. Additionally, N-Nitrosonornicotine can form DNA adducts.</p>

<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>

<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.</p>

<p>Antimalarial agent 3 has a potent IC50 of 0.035 μM against Plasmodium and high selectivity for mammalian cells.</p>

<p>Flutimide: Endonuclease inhibitor, IC50 = 3μM, for research on acute respiratory diseases like influenza.</p>

<p>ONO-5334: selective cathepsin K inhibitor, potential for osteoporosis study; Ki: 0.10 nM (human), 0.049 nM (rabbit), 0.85 nM (rat).</p>

<p>GT-055 (LCB18-055) is a novel inhibitor of broad-spectrum β-lactamase.</p>