Microbiologia/Virologia

<p>17,17-Ethylendioxyandrost-5-en-3β-ol, with an EC 50 of 629 μM, acts as an inhibitor of HSV-1. This compound is applicable in research studies focusing on viral infections.</p>

<p>HBV-IN-48, an HBV inhibitor, exhibits potent antiviral activity against HBV in HepDE19 cells, demonstrated by its EC 50 value of 0.005 μM. Additionally, it effectively reduces serum HBV DNA levels in mouse models of HBV infection.</p>

<p>Antileishmanial agent-6: potent against Leishmania donovani, IC50 0.54μM; cytotoxic IC50 10.2μM.</p>

<p>Laninamivir trifluoroacetate, a long-acting antiviral, treats and prevents Influenza A and B via nasal spray.</p>

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

<p>Valopicitabine, a NS5B inhibitor, is used potentially for the treatment of HCV infection.</p>

<p>And1 degrader 1 (Compound A15) is a degrader of acidic nucleoplasmic DNA-binding protein 1 (And1) that notably induces degradation of And1 in NSCLC cells. When combined with Olaparib (1 μM), And1 degrader 1 at a concentration of 5 μM effectively inhibits proliferation in A549 and H460 cells. This compound is applicable in cancer research studies.</p>

<p>NDM-1 inhibitor-3 is a New Delhi Metallo-β-lactamase-1 (NDM-1) inhibitor (Ki : 4 μM) widely found in nature and is associated with antibiotic resistance.</p>

<p>GSK_WRN4 is a WRN helicase inhibitor with anti-cancer activity, inhibiting MSI tumor cell growth by inducing DNA double-strand breaks, useful in cancer research</p>

<p>DNA ligase-IN-2 (compound 2) acts as a potent LigA inhibitor, effectively hindering the DNA-independent spontaneous adenylation activity of full-length LigA and the truncated enzyme LigA:AD with an IC50 of 29 nM. It also significantly suppresses the in vitro growth of Staphylococcus aureus, showing MIC values of 1 μg/mL for S. aureus ATCC 29213 and S. aureus ATCC 700699, while the MIC for Escherichia coli (E. coli) ATCC 25922 is &gt;64 μg/mL.</p>

<p>PLpro-IN-6 (compound 6) serves as an inhibitor for the papain-like protease (PLpro), demonstrating potent activity with an IC 50 of 0.019 μM against the SARS-CoV-2 PLpro enzyme.</p>

<p>GC373, an effective inhibitor of the SARS-CoV-2 M pro, impedes virus replication, exhibiting an inhibition concentration (IC 50) of 0.4 μM. This compound is valuable for use in anti-COVID-19 research.</p>

<p>HBV-IN-24 inhibits HBV DNA, HBsAg, HBeAg (EC50: 0.6, 0.6, 4.6 nM), and has antiviral properties with neurotoxicity mitigation.</p>

<p>LN002 is an orally active inhibitor of Cryptosporidium oxidase, utilized for research in cryptosporidiosis.</p>

<p>Anti-MRSA agent 2 inhibits MRSA at 0.098 μg/ml, with low toxicity and disrupts bacterial membranes and DNA.</p>

<p>Eravacycline (TP-434) is a potent and broad-spectrum antibacterial agent.</p>

<p>UNI418 is a dual inhibitor targeting PIKfyve and PIP5K1C, exhibiting antiviral activity against SARS-CoV-2 (EC50=1.4 μM). It inhibits the endocytosis of the virus mediated by ACE2 by suppressing PIP5K1C (IC50=60.1 nM; Kd=61 nM). Additionally, UNI418 impedes the entry of SARS-CoV-2 into host cells by inhibiting the proteolytic activation regulated by PIKfyve (Kd=0.78 nM).</p>

<p>Bilanafos is an agent of Anti-Bacterial.</p>

<p>Carumonam Sodium is a monobactam, penicillin-binding protein inhibitor. It is used as antibacterials.</p>

<p>PLpro-IN-5 (compound 21), serving as a PLPro protease inhibitor, boasts an IC50 of 91.14 nM. This compound exhibits a broad-spectrum antivirus efficacy, particularly effective against SARS-CoV, MERS-CoV, and SARS-CoV-2.</p>

<p>SARS-CoV-2 3CLpro-IN-28 (Compound 19) is an inhibitor of SARS-CoV-2 3CLpro, exhibiting an IC50 value of 0.018 μM.</p>

<p>Secutrelvir inhibits the 3CL protease (3CL protease), thereby exhibiting antiviral activity by preventing the replication of SARS-CoV-2.</p>

<p>GSK 932121: potent antimalarial, targets P. falciparum by inhibiting cytochrome bc1 in the electron transport chain.</p>

<p>Cap-dependent endonuclease-IN-25 is a potent inhibitor of CEN, useful in studying Orthomyxoviridae viruses. (See WO2020075080A1, compound 4.)</p>

<p>MCB-3681, active against gram-positive bacterium, is the antibacterial Oxaquin's active substance.</p>

<p>Ambelline has antitumor activity.</p>

<p>7-Hydroxytropolone (3-Hydroxytropolone) is an antibiotic that exhibits activity against Gram-positive and Gram-negative bacteria, as well as yeasts and fungi. It also functions as an inhibitor of 2''-O-adenylate transferase.</p>

<p>Compound 9c, a chitin synthase inhibitor, has an IC50 of 0.37 nM and is useful for studying fungal infections.</p>

<p>PF 03709270 is an oral prodrug of sulopenem with broad-spectrum antibacterial effects on gram-positive and gram-negative bacteria.</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>

<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>(E)-Antiviral agent 67 (compound PC6) is a pyrazolone-based antiviral compound that exhibits inhibitory activity against RNA-dependent RNA polymerase.</p>

<p>Cefempidone (GR 50692) is a third-generation cephalosporin antibiotic. It exhibits antibacterial activity by inhibiting penicillin-binding proteins involved in the synthesis of bacterial cell walls.</p>

<p>5-Fluorouridine 5'-phosphate acts as an ODCase (uridine 5'-monophosphate decarboxylase) inhibitor, exhibiting a Ki value of 98 µM for human ODCase and 645 µM for Methanococcus jannaschii ODCase. This compound also shows inhibitory activity on leukemia and lymphoma cell lines, making it useful for cancer research studies.</p>

<p>QPX7728 bis-acetoxy methyl ester is an inhibitor of boronic acid β-lactamase.</p>

<p>7-APRA is a semisynthetic intermediate of the cephalosporin class of antibiotics. It exhibits antibacterial activity and is primarily used in the synthesis of other cephalosporin antibiotics, such as Cefaclor and Cefprozil.</p>

<p>Griseofulvic Acid ((±)-Griseofulvic acid) is a metabolite of the antifungal agent Griseofulvin. It induces protein aggregation and tubulin polymerization in cell-free assays.</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>Neocryptolepine-Cl (compound Z24) is an inhibitor of Bcthi4, demonstrating excellent antifungal activity against B. cinerea, with an EC50 value of 0.56 μg/mL.</p>

<p>Aurantiogliocladin is a mild antibiotic effective against Staphylococcus epidermidis, but it shows no efficacy against Staphylococcus aureus. It is also capable of inhibiting biofilm formation.</p>

<p>BM635 mesylate inhibits MmpL3; kills Divergent bacterium with 0.6 µM MIC50; boosts bioavailability.</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>Antibiofilm agent-4 is a LasR inhibitor, demonstrating optimal antibiofilm and anti-QS (quorum sensing) properties.</p>

<p>Chitin synthase inhibitor 12: potent CHS blocker (IC50: 0.16 mM), broad-spectrum antifungal, effective against resistant strains. Useful in IFI research.</p>

<p>Artefenomel (OZ439) is an orally active anti-malarial ozone analog with antiviral activity for the study of SARS-CoV-2 infections and malaria infections.</p>

<p>Oral HIV-1 allosteric integrase inhibitor, blocks DNA integration, antiviral, potent against NL432 (EC50: 3.9 nM).</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>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>CTSL/CAPN1-IN-2 (Compound 14b) serves as an orally active inhibitor targeting both CTSL and CAPN1, manifesting IC50 values of 6.88 nM for CTSL and 347.6 nM for CAPN1 respectively. This compound not only displays anti-inflammatory attributes but also features favorable pharmacokinetic properties. Moreover, CTSL/CAPN1-IN-2 shows extensive antiviral effects against coronaviruses by inhibiting viral entry [1].</p>

<p>Epolactaene: neuritogenic, inhibits mammalian DNA polymerases &amp; human DNA topoisomerase II.</p>

<p>Antibacterial agent 204 (Compd P2-56-3) enhances the activity of Rifampin (RIF) against Acinetobacter baumannii and Klebsiella pneumoniae by disrupting the outer membrane of A. baumannii. T [1].</p>

<p>HKI12134085 (compound 3), an orally administered nitrobenzothiazinone (BTZ) derivative, demonstrates antibacterial efficacy against Mycobacterium tuberculosis. This compound exhibits significant in vivo inhibitory potency within a BALB/c mouse model of Mycobacterium tuberculosis infection [1].</p>

<p>L-697639 inhibits of HIV-1 reverse transcriptase and HIV-1 replication.</p>

<p>Pneumolysin-IN-1 (compound PB-3), characterized as a targeted small molecule inhibitor of Pneumolysin (PLY) with an IC50 value of 3.1 µM, acts as a pore-blocking agent and an anti-virulence factor. This compound is useful for researching infections caused by Streptococcus pneumoniae [1].</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>AAA-10 formic is an orally active inhibitor of intestinal bacterial bile salt hydrolase (BSH) against B.</p>

<p>ALG-000184, a prodrug of the potent HBV capsid assembly modulator ALG-001075, shows potential for use in HBV infection research.</p>

<p>MtMetAP1-IN-1 is an inhibitor of methionine aminopeptidase 1 ( MetAP1 ). MtMetAP1-IN-1 shows antimycobacterial activity.</p>

<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>

<p>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].</p>

<p>VV261 is an orally active inhibitor of the Influenza Virus. It exhibits activity against the Severe Fever with Thrombocytopenia Syndrome Virus (SFTSV) and the Lymphocytic Choriomeningitis Virus (LCMV), with EC50 values of 0.89 and 0.15, respectively.</p>

<p>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>

<p>Compound 6xa inhibits drug-resistant tuberculosis with MICs 0.03 μg/mL for DS-Mtb and 0.03-0.06 for DR-Mtb, SI&gt;40 for Vero cells.</p>

<p>SHEN26 (ATY014) is a potent, orally active RdRp inhibitor with an IC50 of 1.36 μM for SARS-CoV-2. As a 5'-cyclohexanecarboxylate derivative of GS-441524, SHEN26 inhibits viral nucleic acid synthesis, achieving antiviral effects. SHEN26 can be used for COVID-19 research [1] [2].</p>

<p>Antibacterialagent 278 (compound B1) is an antimicrobial agent that exhibits potent inhibitory activity against Gram-positive bacteria.</p>

<p>EBOV-GP-IN-1 (Compound 28) is a potent inhibitor of Ebola entry, acting on the Ebola virus envelope glycoprotein (EBOV-GP) (IC50: 0.05 μM).</p>

<p>Teslexivir is a topical antiviral agent that is an effective and selective inhibitor of the interaction between two essential viral proteins, E1 and E2.</p>

<p>GSK3739936 inhibits HIV-1 integrase (IC50: 11.1 nM, EC50: 1.7 nM), weak on CYP (IC50 &gt;24.3 μM), rapid absorption, moderate clearance, high oral availability.</p>

<p>Avibactam sodium dihydrate (NXL-104) is a reversible covalent inhibitor for CTX-M-15 and TEM-1 β-lactamases with IC50s of 5 nM and 8 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>Xanthosine-5'-Triphosphate (5'-XTP) trisodium is a nucleotide formed through the deamination of purine bases. It serves as a substrate for inosine triphosphate pyrophosphatase (ITPase).</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>MIV-150 is a nonnucleoside inhibitor of reverse transcriptase (NNRT). MIV-150 also blocking HIV-1 and HIV-2 infections (EC50&lt;1 nM against HIV-1/HIV-2MN).</p>

<p>RdRP-IN-4, an oral arylbenzohydrazide, inhibits influenza A/B by targeting PB1 of RdRP, with EC50s of 53 nM (H1N1) and 20 nM (Flu B), and aids infected mice.</p>

<p>Cefoxazole is a β-lactam antibiotic featuring an isoxazole structure, known for its antibacterial activity. It can be utilized in the study of infectious diseases.</p>

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

<p>NRTT-IN-1 (Compound 1) is an inhibitor of the nucleoside reverse transcriptase translocation (NRTT), effectively blocking HIV DNA synthesis and viral replication.</p>

<p>Telinavir (SC-52151) is a potent and selective inhibitor of HIV protease. It effectively inhibits both HIV-1 and HIV-2, as well as lymphotropic, monocytotropic strains, and wild isolates of simian immunodeficiency viruses, with an EC50 of 26 ng/mL (43 nM). Telinavir shows high protein binding in human plasma and a low distribution rate in red blood cells.</p>

<p>Xeruborbactam isoboxil is a β-lactamase (beta-lactamase) inhibitor.</p>

<p>Jun13296 is an orally active quinoline SARS-CoV-2 papain-like protease inhibitor (IC50 = 0.13 µM, Ki = 8.8 nM). It demonstrates potent inhibitory effects against SARS-CoV-2 variants and Nirmatrelvir-resistant mutants. Jun13296 reduces lung viral titers and prevents lung tissue damage in SARS-CoV-2 infection models.</p>

<p>(E)-2,6-Di-tert-butyl-4-(4-(diethylamino)styryl)pyrylium TFA (Compound 4a) functions as a Gram-negative outer membrane permeabilizer by targeting Met47 in LptA to disrupt LptA/LptC interactions, exhibiting synergistic antibacterial activity. This compound, when in the form of (trifluoromethanesulfonate), enhances the efficacy of pol B against both wild-type and multi-drug resistant A. baumannii and E. coli strains. Additionally, (E)-2,6-Di-tert-butyl-4-(4-(diethylamino)styryl)pyrylium (trifluoromethanesulfonate) serves as an adjuvant for antibiotics combating multi-drug resistant Gram-negative bacteria.</p>

<p>KKL-40 is a small-molecule inhibitor that targets the trans-translation process, effectively suppressing methicillin-sensitive and resistant Staphylococcus aureus (S. aureus) and other Gram-positive pathogens, including vancomycin-resistant Enterococcus faecium, Bacillus subtilis, and Streptococcus pyogenes. It works in synergy with the human antimicrobial peptide LL-37 to inhibit S. aureus, but does not show synergistic effects with other antibiotics such as daptomycin, kanamycin, or erythromycin. KKL-40 inhibits trans-translation, an extreme form of recoding, while being non-toxic to HeLa cells.</p>

<p>VPC-80051 is an hnRNP A1 splicing activity inhibitor that directly interacts with the hnRNP A1 RBD and reduces AR-V7 messenger levels in the 22Rv1 CRPC cell line. VPC-80051 is applicable in prostate cancer research.</p>

<p>Atramycin A is an anthraquinone antibiotic with antitumor properties.</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>Metesind Glucuronate is an antineoplastic. It also is a specific thymidylate synthase inhibitor.</p>

<p>Antibacterialagent 279 (compound A12) is an effective antibacterial agent. It inhibits the SOS response of Pseudomonas aeruginosa.</p>

<p>GHP-88309 is an orally active, broad-spectrum anti-paramyxovirus agent that targets viral polymerase, interrupting viral RNA synthesis. It effectively inhibits respiratory syncytial virus (RSV), measles virus (MeV), and canine distemper virus (CDV) with an EC50 of 0.06-1.2 μM. In mouse models, GHP-88309 demonstrates significant anti-infective activity.</p>

<p>Antifungal agent 17 showed good antifungal activity against B. cinerea (EC50: 2.86 μg/mL).</p>

<p>MRL-494, a small-molecule BamA inhibitor, resists efflux and outer membrane permeability, with antibacterial properties.</p>

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

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

<p>SARS 3CLpro-IN-1: stereospecific SARS 3CL protease inhibitor, octahydroisochromene class, IC50 = 95 μM.</p>

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

<p>MK-3402 is a metallo-beta-lactamase inhibitor. MK-3402can be used in the research of bacteria .</p>

<p>NS2B/NS3-IN-3 (Compd 66) is an inhibitor of Flavivirus NS2B-NS3 protease [1] .</p>

<p>Compound 11i: potent, non-toxic anti-tuberculosis biphenyl analogue.</p>

<p>Anthelvencin A is a pyrrolylamide metabolite with moderate antibacterial and anthelmintic activity.</p>

<p>TREX1-IN-4 (Compound 96) is an inhibitor of TREX1 and TREX2, exhibiting an IC50 of less than 0.1 μM for TREX1 and an IC50 of less than 1 μM for TREX2. It has an EC50 ranging from 0.1 to 10 μM in HCT116 cells. TREX1-IN-4 is applicable for research in the field of cancer.</p>

<p>(Z)-Lanoconazole, an imidazole antifungal for dermatophytosis and onychomycosis, inhibits fungal ergosterol production.</p>

<p>SPB07935 inhibits plasmepsin II in the malaria-causing parasite Plasmodium falciparum and serves as an antimalarial agent. It affects the life cycle of P. falciparum, hindering the growth of the parasite's FcB1 and 3D7 strains, with IC50 values of 8 μM and 4.7 μM, respectively.</p>

<p>HPH-15 is an anti-cell migration compound that inhibits cell movement by binding to hnRNP U or suppressing TGF-β. Additionally, it prevents epithelial-to-mesenchymal transition (EMT). HPH-15 holds potential for research in areas such as anti-tumor metastasis and anti-fibrosis.</p>

<p>TREX1-IN-3 (Compound 95) is an inhibitor of TREX1 and TREX2, with an IC50 of less than 0.1 μM for TREX1 and less than 1 μM for TREX2, as well as an EC50 of less than 1 μM for HCT116 cells. It is applicable for research in the field of cancer.</p>