Understanding the structure-activity relationship of betulinic acid derivatives as anti-HIV-1 agents by using 3D-QSAR and docking

2010 ◽  
Vol 17 (7) ◽  
pp. 1643-1659 ◽  
Author(s):  
Ping Lan ◽  
Wan-Na Chen ◽  
Zhi-Jian Huang ◽  
Ping-Hua Sun ◽  
Wei-Min Chen
Keyword(s):  
Betulinic Acid ◽  
3D Qsar ◽  
Structure Activity Relationship ◽  
Activity Relationship ◽  
Structure Activity ◽  
Relationship Of ◽  
Anti Hiv ◽  
Hiv 1

Structure–activity relationship of neomycin, paromomycin, and neamine–arginine conjugates, targeting HIV-1 gp120–CXCR4 binding step

2003 ◽  
Vol 60 (3) ◽  
pp. 181-192 ◽  
Author(s):  
Gadi Borkow ◽  
Veerappan Vijayabaskar ◽  
Humberto Herman Lara ◽  
Alexander Kalinkovich ◽  
Aviva Lapidot
Keyword(s):  
Structure Activity Relationship ◽  
Activity Relationship ◽  
Structure Activity ◽  
Relationship Of ◽  
Hiv 1

Anti-HIV-1 activity of thiadiazole derivatives: structure-activity relationship, reverse transcriptase inhibition, and lipophilicity

1996 ◽  
Vol 31 (1-2) ◽  
pp. 87-94 ◽  
Author(s):  
Katsushi Ijichi ◽  
Masatoshi Fujiwara ◽  
Hideki Nagano ◽  
Yukiharu Matsumoto ◽  
Yasuaki Hanasaki ◽  
...  
Keyword(s):  
Reverse Transcriptase ◽  
Structure Activity Relationship ◽  
Activity Relationship ◽  
Structure Activity ◽  
Thiadiazole Derivatives ◽  
Anti Hiv ◽  
Hiv 1

Structure–activity relationship of HIV-1 protease inhibitors containing α-hydroxy-β-amino acids. Detailed study of P 1 site

1999 ◽  
Vol 7 (9) ◽  
pp. 2063-2072 ◽  
Author(s):  
Eiji Takashiro ◽  
Ichiro Hayakawa ◽  
Tamayo Nitta ◽  
Atsushi Kasuya ◽  
Shuichi Miyamoto ◽  
...  
Keyword(s):  
Amino Acids ◽  
Protease Inhibitors ◽  
Structure Activity Relationship ◽  
Activity Relationship ◽  
Structure Activity ◽  
Relationship Of ◽  
Hiv 1

Structure-Activity Relationship Studies on Potential Non-Nucleoside DABO-Like Inhibitors of HIV-1 Reverse Transcriptase

2000 ◽  
Vol 11 (2) ◽  
pp. 117-133 ◽  
Author(s):  
Roberta Costi ◽  
Roberto Di Santo ◽  
Marino Artico ◽  
Silvio Massa ◽  
Antonio Lavecchia ◽  
...  
Keyword(s):  
Reverse Transcriptase ◽  
Structure Activity Relationship ◽  
Activity Relationship ◽  
Enzyme Assays ◽  
Structure Activity ◽  
Immunodeficiency Virus ◽  
Anti Hiv ◽  
Hiv 1

Using 2,6-dichloro-4-aminopyrimidine, a number of uracil and cytosine derivatives with both arylthio and alkoxy moieties were prepared. These novel pyrimidines share chemical similarities with DABOs and HEPTs, two classes of nonnucleoside human immunodeficiency virus type 1 (HIV-1) reverse transcriptase inhibitors (NNRTIs), which have been widely studied of late. All new derivatives were tested in MT-4 cells to explore their potential in vivo anti-HIV activity. Like other NNRTIs, they selectively inhibit HIV-1 but not HIV- 2. The majority of test derivatives were found to have low potency and were sometimes more cytotoxic than zidovudine and emivirine (formerly MKC-442), used here as reference drugs. Uracil and cytosine derivatives bearing a sec-butoxy chain and a methyl-substituted benzenesulphonyl moiety were the most potent. Enzyme assays proved that these derivatives target RT. Structure-activity relationship studies established a correlation between the anti-HIV-1 activity and the meta substitution on the phenyl ring; furthermore, oxidation of sulphide to sulphone significantly increased the potency of certain derivatives.

scholarly journals Structure–Activity Relationship of Pyrrolyl Diketo Acid Derivatives as Dual Inhibitors of HIV-1 Integrase and Reverse Transcriptase Ribonuclease H Domain

2015 ◽  
Vol 58 (4) ◽  
pp. 1915-1928 ◽  
Author(s):  
Giuliana Cuzzucoli Crucitti ◽  
Mathieu Métifiot ◽  
Luca Pescatori ◽  
Antonella Messore ◽  
Valentina Noemi Madia ◽  
...  
Keyword(s):  
Reverse Transcriptase ◽  
Structure Activity Relationship ◽  
Ribonuclease H ◽  
Activity Relationship ◽  
Structure Activity ◽  
Dual Inhibitors ◽  
Relationship Of ◽  
Hiv 1
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