Chemical space exploration around indolylarylsulfone scaffold led to a novel class of highly active HIV-1 NNRTIs with spiro structural features

S Gao, Y Cheng, S Song, L Song, F Zhao, S Xu… - European journal of …, 2022 - Elsevier
To thoroughly investigate the uncharted chemical space around the entrance channel of HIV-
1 reverse transcriptase (RT) and to improve the physicochemical properties, we introduced …

Discovery of novel indolylarylsulfones as potent HIV-1 NNRTIs via structure-guided scaffold morphing

T Zhao, Q Meng, D Kang, J Ji, E De Clercq… - European Journal of …, 2019 - Elsevier
For more in-depth exploration of the chemical space around the entrance channel of HIV-1
reverse transcriptase (RT), a series of novel indolylarylsulfones (IASs) bearing different …

Discovery of novel piperidine-substituted indolylarylsulfones as potent HIV NNRTIs via structure-guided scaffold morphing and fragment rearrangement

X Li, P Gao, B Huang, Z Zhou, Z Yu, Z Yuan… - European journal of …, 2017 - Elsevier
To further explore the chemical space around the entrance channel of HIV-1 reverse
transcriptase (RT), a series of novel indolylarylsulfones (IASs) bearing N-substituted …

Indolylarylsulfones bearing phenylboronic acid and phenylboronate ester functionalities as potent HIV‑1 non-nucleoside reverse transcriptase inhibitors

S Xu, S Song, L Sun, P Gao, S Gao, Y Ma… - Bioorganic & Medicinal …, 2022 - Elsevier
To explore the chemical space around the entrance channel of the HIV-1 reverse
transcriptase (RT) binding pocket, we innovatively designed and synthesized a series of …

[HTML][HTML] Discovery of novel sulfonamide substituted indolylarylsulfones as potent HIV-1 inhibitors with better safety profiles

S Gao, L Song, Y Cheng, F Zhao, D Kang… - … Pharmaceutica Sinica B, 2023 - Elsevier
Indolylarylsulfones (IASs) are classical HIV-1 non-nucleoside reverse transcriptase
inhibitors (NNRTIs) with a unique scaffold and possess potent antiviral activity. To address …

Lead optimization and avoidance of metabolic-perturbing motif developing novel Diarylpyrimidines as potent HIV-1 NNRTIs

Y Sun, Z Zhou, D Feng, L Jing, F Zhao… - Journal of Medicinal …, 2022 - ACS Publications
Non-nucleoside reverse transcriptase inhibitors (NNRTIs) represent an indispensable part of
anti-HIV-1 therapy. To discover novel HIV-1 NNRTIs with increased drug resistance profiles …

Recent progress in HIV-1 inhibitors targeting the entrance channel of HIV-1 non-nucleoside reverse transcriptase inhibitor binding pocket

SX Gu, T Xiao, YY Zhu, GY Liu, FE Chen - European Journal of Medicinal …, 2019 - Elsevier
Since the entrance channel was proposed as a new binding site in non-nucleoside reverse
transcriptase inhibitor binding pocket (NNIBP) of HIV-1 reverse transcriptase (RT) in 2012, a …

Covalently Targeted Highly Conserved Tyr318 to Improve the Drug Resistance Profiles of HIV-1 NNRTIs: A Proof-of-Concept Study

Z Zhou, B Meng, J An, F Zhao, Y Sun, D Zeng… - International Journal of …, 2023 - mdpi.com
This study presents proof of concept for designing a novel HIV-1 covalent inhibitor targeting
the highly conserved Tyr318 in the HIV-1 non-nucleoside reverse transcriptase inhibitors …

2, 4, 5-Trisubstituted thiazole derivatives as HIV-1 NNRTIs effective on both wild-type and mutant HIV-1 reverse transcriptase: optimization of the substitution of …

Z Xu, J Guo, Y Yang, M Zhang, M Ba, Z Li, Y Cao… - European Journal of …, 2016 - Elsevier
In our previous work, novel 2, 4, 5-trisubstituted thiazole derivatives (TSTs) were
synthesized, and their activities were evaluated against HIV-1 reverse transcriptase. Some …

Design and synthesis of Fsp3‐enriched spirocyclic‐substituted diarylpyrimidine derivatives as novel HIV‐1 NNRTIs

Z Sang, T Zhang, Z Wang, E De Clercq… - Chemical Biology & …, 2024 - Wiley Online Library
In this study, a novel series of diarylpyrimidine derivatives with Fsp3‐enriched spirocycles
were designed and synthesized to further explore the chemical space of the hydrophobic …