Structure-activity relationships (SAR) of contraceptive progestogens studied with four different methods using calculated physicochemical parameters

Journal of Molecular Graphics and Modelling

Volumn 20, Issue 4, 2002, Pages 345-358

  Vendrame, Rosana ^a   Ferreira, Márcia M C ^a   Collins, Carol H ^a   Takahata, Yuji ^a  

^a UNIVERSITY OF CAMPINAS   (Brazil)

Author keywords

AM1; Calculated physicochemical parameters; Contraceptive progestogens; Electronic indices method; Neural network; SAR

Indexed keywords

BINDING ENERGY; HORMONES; NEURAL NETWORKS;

SEX HORMONE BINDING GLOBULIN (SHBG); STRUCTURE-ACTIVITY RELATIONSHIPS (SAR);

MOLECULAR GRAPHICS;

1 HYDRO 6ALPHA METHYL 17ALPHA ACETOXYPROGESTERONE; 1,6 BISDEHYDRO 6ALPHA FLUORO 17ALPHA ACETOXYPROGESTERONE; 17 DEACTYLNORGESTIMATE; 21 CHLORO 1,6 BISDEHYDRO 17ALPHA ACETOXYPROGESTERONE; 21 FLUORO 1,6 BISDEHYDRO 17ALPHA ACETOXYPROGESTERONE; 6 CHLORO 1,6 BISDEHYDRO 17ALPHA ACETOXYPROGESTERONE; 6 CHLORO 6 HYDRO 17ALPHA ACETOXYPROGESTERONE; 6 METHYL 1,6 BISDEHYDRO 17ALPHA ACETOXYPROGESTERONE; 6 METHYL 6 HYDRO 17ALPHA ACETOXYPROGESTERONE; 6ALPHA BROMO 1 HYDRO 17ALPHA ACETOXYPROGESTERONE; 6ALPHA BROMO 17ALPHA ACETOXYPROGESTERONE; 6ALPHA CHLORO 1 HYDRO 17ALPHA ACETOXYPROGESTERONE; 6ALPHA CHLORO 17ALPHA ACETOXYPROGESTERONE; 6ALPHA FLUORO 1 HYDRO 17ALPHA ACETOXYPROGESTERONE; 6ALPHA FLUORO 17ALPHA ACETOXYPROGESTERONE; 6ALPHA FLUORO 6 HYDRO 17ALPHA ACETOXYPROGESTERONE; 6ALPHA NITRO 17ALPHA ACETOXYPROGESTERONE; 6BETA CHLORO 17ALPHA ACETOXYPROGESTERONE; ANDROSTANOLONE; GESTAGEN; HYDROXYPROGESTERONE ACETATE; LEVONORGESTREL; MEDROXYPROGESTERONE ACETATE; NORETHISTERONE; PROGESTERONE DERIVATIVE; SEX HORMONE BINDING GLOBULIN; UNCLASSIFIED DRUG;

ANALYTIC METHOD; BINDING AFFINITY; CALCULATION; CLUSTER ANALYSIS; CONFERENCE PAPER; DRUG ACTIVITY; DRUG EFFECT; HUMAN; INTERMETHOD COMPARISON; MOLECULE; NERVE CELL NETWORK; ORBIT; PHYSICAL CHEMISTRY; PRINCIPAL COMPONENT ANALYSIS; PRIORITY JOURNAL; RELIABILITY; STRUCTURE ACTIVITY RELATION;

ANDROGENS; CONTRACEPTIVES, ORAL, HORMONAL; MOLECULAR STRUCTURE; PROGESTERONE CONGENERS; PROGESTINS; SEX HORMONE-BINDING GLOBULIN; STRUCTURE-ACTIVITY RELATIONSHIP;

OXALIS TUBEROSA;

EID: 0036136148     PISSN: 10933263     EISSN: None     Source Type: Journal    
DOI: 10.1016/S1093-3263(01)00107-3     Document Type: Conference Paper

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