Name:
Andrei Leitao
Country:
BRA
City:
Sao Carlos - SP
State/Province:
ACS Member:
Member
Local Section:
International Chapter:
Technical Division Membership:
Technical Division Membership Emeritus:
Subdivision Member:
ACS Activities:
Company/Institution Name:
Career Stage:
Professional
Research and Special Interests:
The application of computational tools in many different targets is being pursued, like estrogen receptor (ER) including GPR30 in breast cancer; prostate cancer and androgen receptor; Selectivity of class 3 nuclear receptors, more specifically for ER; druggability studies of two new human enzymes that bind the DNA, which comprise their homology modeling; peptidomimetics for Sin-Nombre Virus (SNV).
Past work involved the identification of HIV-1 protease and reverse transcriptase, antitumoral compounds that bind the DNA (minor groove and interacalators) and the description of the chiral separation of proton pump inhibitors (anti-ulcer compounds).
Area of Expertise:
Computational chemistry applied to drug discovery and development. Bioinformatics and chemoinformatics/cheminformatics in medicinal chemistry. Structure based drug design (SBDD). Ligand based drug design (LBDD).
Years of Expertise:
6-10