oedocking 3.0.1 (OpenEye Scientific Software Inc)
90
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OpenEye Scientific Software Inc
oedocking 3.0.1
Oedocking 3.0.1, supplied by OpenEye Scientific Software Inc, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/oedocking+3%2E0%2E1/oedocking+3+0+1/pm39369484-433-27-10
Average 90 stars, based on 1 article reviews
Oedocking 3.0.1, supplied by OpenEye Scientific Software Inc, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/oedocking+3%2E0%2E1/oedocking+3+0+1/pm39369484-433-27-10
Average 90 stars, based on 1 article reviews
oedocking 3.0.1 - by Bioz Stars,
2026-09
90/100 stars
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Generated:Article Title: Identification of novel diarylpyrimidine derivatives as potent HIV-1 non-nucleoside reverse transcriptase inhibitors against wild-type and K103N mutant viruses. Article Snippet: HIV-1 non-nucleoside reverse transcriptase inhibitors (NNRTIs) play a crucial role in combination antiretroviral therapy (cART).. To further enhance their antiviral activity and anti-resistance properties, we developed a series of novel NNRTIs, by specifically targeting tolerant region I of the NNRTI binding pocket.. Among them, compound 9t-2 displayed excellent anti-HIV-1 potency against wild-type and prevalent mutant strains with EC50 values between 0.0019 and 0.012 μM. Article Title: QSAR-Driven Design and Discovery of Novel Compounds With Antiplasmodial and Transmission Blocking Activities Article Snippet: On Make Article Title: Discovery of diarylpyrimidine derivatives bearing piperazine sulfonyl as potent HIV-1 nonnucleoside reverse transcriptase inhibitors Article Snippet: 18b1 and Etravirine conformers were generated by Article Title: Discovery of phenylalanine derivatives as potent HIV-1 capsid inhibitors from click chemistry-based compound library Article Snippet: Article Title: Bioisosteric replacement strategy leads to novel DNA gyrase B inhibitors with improved potencies and properties. Article Snippet: The identification of novel 4-hydroxy-2-quinolone-3-carboxamide antibacterials with improved properties is of great value for the control of antibiotic resistance.. In this study, a series of N-heteroaryl-substituted 4-hydroxy-2quinolone-3-carboxamides were developed using the bioisosteric replacement strategy.. As a result of our research, we discovered the two most potent GyrB inhibitors (WBX7 and WBX18), with IC50 values of 0.816 μM and 0.137 μM, respectively. Article Title: New tools in nucleoside toolbox of tick-borne encephalitis virus reproduction inhibitors. Article Snippet: Design and development of nucleoside analogs is an established strategy in the antiviral drug discovery field.. Nevertheless, for many viruses the coverage of structure-activity relationships (SAR) in the nucleoside chemical space is not sufficient.. Here we present the nucleoside SAR exploration for tick-borne encephalitis virus (TBEV), a member of Flavivirus genus. Article Title: Discovery of Phenylalanine Derivatives as Potent HIV-1 Capsid Inhibitors from Click Chemistry-based Compound Library Article Snippet: Article Title: Design, synthesis, and mechanism study of dimerized phenylalanine derivatives as novel HIV-1 capsid inhibitors Article Snippet: Q-c4 conformers were generated by Variant Assay:Article Title: Identification of novel diarylpyrimidine derivatives as potent HIV-1 non-nucleoside reverse transcriptase inhibitors against wild-type and K103N mutant viruses. Article Snippet: HIV-1 non-nucleoside reverse transcriptase inhibitors (NNRTIs) play a crucial role in combination antiretroviral therapy (cART).. To further enhance their antiviral activity and anti-resistance properties, we developed a series of novel NNRTIs, by specifically targeting tolerant region I of the NNRTI binding pocket.. Among them, compound 9t-2 displayed excellent anti-HIV-1 potency against wild-type and prevalent mutant strains with EC50 values between 0.0019 and 0.012 μM. Article Title: QSAR-Driven Design and Discovery of Novel Compounds With Antiplasmodial and Transmission Blocking Activities Article Snippet: On Make Article Title: Discovery of diarylpyrimidine derivatives bearing piperazine sulfonyl as potent HIV-1 nonnucleoside reverse transcriptase inhibitors Article Snippet: 18b1 and Etravirine conformers were generated by Article Title: Discovery of phenylalanine derivatives as potent HIV-1 capsid inhibitors from click chemistry-based compound library Article Snippet: Article Title: Bioisosteric replacement strategy leads to novel DNA gyrase B inhibitors with improved potencies and properties. Article Snippet: The identification of novel 4-hydroxy-2-quinolone-3-carboxamide antibacterials with improved properties is of great value for the control of antibiotic resistance.. In this study, a series of N-heteroaryl-substituted 4-hydroxy-2quinolone-3-carboxamides were developed using the bioisosteric replacement strategy.. As a result of our research, we discovered the two most potent GyrB inhibitors (WBX7 and WBX18), with IC50 values of 0.816 μM and 0.137 μM, respectively. Article Title: New tools in nucleoside toolbox of tick-borne encephalitis virus reproduction inhibitors. Article Snippet: Design and development of nucleoside analogs is an established strategy in the antiviral drug discovery field.. Nevertheless, for many viruses the coverage of structure-activity relationships (SAR) in the nucleoside chemical space is not sufficient.. Here we present the nucleoside SAR exploration for tick-borne encephalitis virus (TBEV), a member of Flavivirus genus. Article Title: Discovery of Phenylalanine Derivatives as Potent HIV-1 Capsid Inhibitors from Click Chemistry-based Compound Library Article Snippet: Article Title: Design, synthesis, and mechanism study of dimerized phenylalanine derivatives as novel HIV-1 capsid inhibitors Article Snippet: Q-c4 conformers were generated by Binding Assay:Article Title: Identification of novel diarylpyrimidine derivatives as potent HIV-1 non-nucleoside reverse transcriptase inhibitors against wild-type and K103N mutant viruses. Article Snippet: HIV-1 non-nucleoside reverse transcriptase inhibitors (NNRTIs) play a crucial role in combination antiretroviral therapy (cART).. To further enhance their antiviral activity and anti-resistance properties, we developed a series of novel NNRTIs, by specifically targeting tolerant region I of the NNRTI binding pocket.. Among them, compound 9t-2 displayed excellent anti-HIV-1 potency against wild-type and prevalent mutant strains with EC50 values between 0.0019 and 0.012 μM. Article Title: QSAR-Driven Design and Discovery of Novel Compounds With Antiplasmodial and Transmission Blocking Activities Article Snippet: On Make Article Title: Discovery of diarylpyrimidine derivatives bearing piperazine sulfonyl as potent HIV-1 nonnucleoside reverse transcriptase inhibitors Article Snippet: 18b1 and Etravirine conformers were generated by Article Title: Discovery of phenylalanine derivatives as potent HIV-1 capsid inhibitors from click chemistry-based compound library Article Snippet: Article Title: Bioisosteric replacement strategy leads to novel DNA gyrase B inhibitors with improved potencies and properties. Article Snippet: The identification of novel 4-hydroxy-2-quinolone-3-carboxamide antibacterials with improved properties is of great value for the control of antibiotic resistance.. In this study, a series of N-heteroaryl-substituted 4-hydroxy-2quinolone-3-carboxamides were developed using the bioisosteric replacement strategy.. As a result of our research, we discovered the two most potent GyrB inhibitors (WBX7 and WBX18), with IC50 values of 0.816 μM and 0.137 μM, respectively. Article Title: New tools in nucleoside toolbox of tick-borne encephalitis virus reproduction inhibitors. Article Snippet: Design and development of nucleoside analogs is an established strategy in the antiviral drug discovery field.. Nevertheless, for many viruses the coverage of structure-activity relationships (SAR) in the nucleoside chemical space is not sufficient.. Here we present the nucleoside SAR exploration for tick-borne encephalitis virus (TBEV), a member of Flavivirus genus. Article Title: Discovery of Phenylalanine Derivatives as Potent HIV-1 Capsid Inhibitors from Click Chemistry-based Compound Library Article Snippet: Article Title: Design, synthesis, and mechanism study of dimerized phenylalanine derivatives as novel HIV-1 capsid inhibitors Article Snippet: Q-c4 conformers were generated by |