Benzenesulfonyl 유도체들의 구조와 Staphylococcus aureus에 대한 항균력

• 영문명: Conformation and Antibacterial Activity on Staphylococcus aureus of Some Benzenesulfonyl Analogues
• 발행기관: 대한약학회
• 저자명: 김보수(Bo Soo Kim) 이성희(Sung Hee Lee) 정우태(Uoo Tae Chung) 강영기(Young Kee Kang)
• 간행물 정보: 『약학회지』제33권 제6호 (1989년), 350~360쪽, 전체 11쪽
• 주제분류: 의약학 > 기타의약학
• 파일형태: PDF
• 발행일자: 1989.12.28

영문 초록

The conformation and activity of the four benzenesulfonyl analogues of 4-aminobenzene-sulfonamide, 4-aminobenzenesulfonic acid, 4-methylbenzenesulfonamide, and 4-methylbenzenesulfonic acid with antibacterial activity on Staphylococcus aureus were studied using an empirical potential function (ECEPP/2) and the hydration shell model. The conformational energies were minimized from the starting conformations which included possible combinations of torsion angles in each molecule. To understand the hydration effect on the conformation of the molecule in aqueous solution, the hydration free energy of each group was calculated and compared each other. The conformational entropies of low-free-energy coformation of benzenesulfonly analogues were computed by a harmonic approximation. From the correlation of lowest-free-energy conformation of each compound and its antibacterial activity, it was found that the hydration of sulfonyl groups and the substituents are the decisive factors to show antibacterial activities.

키워드

Conformation antibacterial activity benzenesulfonyl analogues