ridm@nrct.go.th   ระบบคลังข้อมูลงานวิจัยไทย   รายการโปรดที่คุณเลือกไว้

Stapled BH3 Peptides against MCL-1 : mechanism and design using atomistic simulations.

หน่วยงาน Nanyang Technological University, Singapore

รายละเอียด

ชื่อเรื่อง : Stapled BH3 Peptides against MCL-1 : mechanism and design using atomistic simulations.
นักวิจัย : Joseph, Thomas L. , Lane, David P. , Verma, Chandra Shekhar.
คำค้น : -
หน่วยงาน : Nanyang Technological University, Singapore
ผู้ร่วมงาน : -
ปีพิมพ์ : 2555
อ้างอิง : Joseph, T. L., Lane, D. P., & Verma, C. S. (2012). Stapled BH3 Peptides against MCL-1: Mechanism and Design Using Atomistic Simulations. PLoS ONE, 7(8). , 1932-6203 , http://hdl.handle.net/10220/9289 , http://dx.doi.org/10.1371/journal.pone.0043985
ที่มา : -
ความเชี่ยวชาญ : -
ความสัมพันธ์ : PLoS ONE
ขอบเขตของเนื้อหา : -
บทคัดย่อ/คำอธิบาย :

Atomistic simulations of a set of stapled alpha helical peptides derived from the BH3 helix of MCL-1 (Stewart et al. (2010) Nat Chem Biol 6: 595–601) complexed to a fragment (residues 172–320) of MCL-1 revealed that the highest affinity is achieved when the staples engage the surface of MCL-1 as has also been demonstrated for p53-MDM2 (Joseph et al. (2010) Cell Cycle 9: 4560–4568; Baek et al. (2012) J Am Chem Soc 134: 103–106). Affinity is also modulated by the ability of the staples to pre-organize the peptides as helices. Molecular dynamics simulations of these stapled BH3 peptides were carried out followed by determination of the energies of interactions using MM/GBSA methods. These show that the location of the staple is a key determinant of a good binding stapled peptide from a bad binder. The good binder derives binding affinity from interactions between the hydrophobic staple and a hydrophobic patch on MCL-1. The position of the staple was varied, guiding the design of new stapled peptides with higher affinities.

บรรณานุกรม :
Joseph, Thomas L. , Lane, David P. , Verma, Chandra Shekhar. . (2555). Stapled BH3 Peptides against MCL-1 : mechanism and design using atomistic simulations..
    กรุงเทพมหานคร : Nanyang Technological University, Singapore.
Joseph, Thomas L. , Lane, David P. , Verma, Chandra Shekhar. . 2555. "Stapled BH3 Peptides against MCL-1 : mechanism and design using atomistic simulations.".
    กรุงเทพมหานคร : Nanyang Technological University, Singapore.
Joseph, Thomas L. , Lane, David P. , Verma, Chandra Shekhar. . "Stapled BH3 Peptides against MCL-1 : mechanism and design using atomistic simulations.."
    กรุงเทพมหานคร : Nanyang Technological University, Singapore, 2555. Print.
Joseph, Thomas L. , Lane, David P. , Verma, Chandra Shekhar. . Stapled BH3 Peptides against MCL-1 : mechanism and design using atomistic simulations.. กรุงเทพมหานคร : Nanyang Technological University, Singapore; 2555.