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Small-Molecule Anti-HIV-1 Agents Based on HIV-1 Capsid Proteins

Institute of Biomaterials and Bioengineering, Tokyo Medical and Dental University, Chiyoda-ku, Tokyo 101-0062, Japan
Pathogen Genomics Center, National Institute of Infectious Diseases, Musashimurayama, Tokyo 208-0011, Japan
AIDS Research Center, National Institute of Infectious Diseases, Shinjuku-ku, Tokyo 162-8640, Japan
Authors to whom correspondence should be addressed.
Current address: Showa Pharmaceutical University, Machida, Tokyo 194-8543, Japan.
Biomolecules 2021, 11(2), 208;
Received: 25 November 2020 / Revised: 9 January 2021 / Accepted: 12 January 2021 / Published: 3 February 2021
(This article belongs to the Section Chemical Biology)
The capsid of human immunodeficiency virus type 1 (HIV-1) is a shell that encloses viral RNA and is highly conserved among many strains of the virus. It forms a conical structure by assembling oligomers of capsid (CA) proteins. CA dysfunction is expected to be an important target of suppression of HIV-1 replication, and it is important to understand a new mechanism that could lead to the CA dysfunction. A drug targeting CA however, has not been developed to date. Hydrophobic interactions between two CA molecules via Trp184/Met185 in CA were recently reported to be important for stabilization of the multimeric structure of CA. In the present study, a small molecule designed by in silico screening as a dipeptide mimic of Trp184 and Met185 in the interaction site, was synthesized and its significant anti-HIV-1 activity was confirmed. Structure activity relationship (SAR) studies of its derivatives were performed and provided results that are expected to be useful in the future design and development of novel anti-HIV agents targeting CA. View Full-Text
Keywords: anti-HIV; capsid; dipeptide mimic; in silico screening anti-HIV; capsid; dipeptide mimic; in silico screening
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MDPI and ACS Style

Kobayakawa, T.; Yokoyama, M.; Tsuji, K.; Fujino, M.; Kurakami, M.; Boku, S.; Nakayama, M.; Kaneko, M.; Ohashi, N.; Kotani, O.; Murakami, T.; Sato, H.; Tamamura, H. Small-Molecule Anti-HIV-1 Agents Based on HIV-1 Capsid Proteins. Biomolecules 2021, 11, 208.

AMA Style

Kobayakawa T, Yokoyama M, Tsuji K, Fujino M, Kurakami M, Boku S, Nakayama M, Kaneko M, Ohashi N, Kotani O, Murakami T, Sato H, Tamamura H. Small-Molecule Anti-HIV-1 Agents Based on HIV-1 Capsid Proteins. Biomolecules. 2021; 11(2):208.

Chicago/Turabian Style

Kobayakawa, Takuya, Masaru Yokoyama, Kohei Tsuji, Masayuki Fujino, Masaki Kurakami, Sayaka Boku, Miyuki Nakayama, Moemi Kaneko, Nami Ohashi, Osamu Kotani, Tsutomu Murakami, Hironori Sato, and Hirokazu Tamamura. 2021. "Small-Molecule Anti-HIV-1 Agents Based on HIV-1 Capsid Proteins" Biomolecules 11, no. 2: 208.

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