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Discovery of novel HIV-1 reverse transcriptase inhibitors using a combination of 3D database searching and 3D QSAR

  1. Author:
    Zaharevitz, D. W.
    Gussio, R.
    Wiegand, A.
    Jalluri, R.
    Pattabiraman, N.
    Kellogg, G. E.
    Pallansch, L. A.
    Yang, S. S.
    Buckheit, R. W.

  2. Author Address

    Zaharevitz DW NCI, Dev Therapeut Program Execut Pl N,Room 811,6130 Execut Blvd Bethesda, MD 20892 USA NCI, Dev Therapeut Program Bethesda, MD 20892 USA Serquest So Res Inst, Infect Dis Res Dept Frederick, MD 21701 USA Adv Biomed Comp Ctr Frederick, MD 21702 USA Virginia Commonwealth Univ, Dept Med Chem Richmond, VA 23298 USA Virginia Commonwealth Univ, Inst Struct Biol & Drug Discovery, Sch Pharm Richmond, VA 23298 USA
    1. Year: 1999
  2. Journal: Medicinal Chemistry Research
    1. 9
    2. 7-8
    3. Pages: 551-564
  4. Type of Article: Article
  1. Abstract:

    3D searches in a database of over 100,000 compounds were followed by evaluations of hits in a 3D QSAR model for the non-nucleoside binding site of HIV-1 reverse transcriptase. The procedure resulted in the identification of a set of novel and structurally diverse inhibitors and required testing of only 225 compounds. [References: 24]

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