JWMVS-529 CD多变量SSE分析程序

智能文字提取功能测试中

蛋白质或肽的功能与其结构密切相关。由于CD测量探测氨基酸结构的变化，CD被广泛用于药物用的蛋白质和肽分子的结构分析。CD的光谱形状反映了蛋白质和多肽中二级结构基序的丰度比，CD数据的二级结构分析快速、准确地反映了这些结构的变化。Application NoteCDSSpectroscopy JWMVS-529 CD multivariate SSE analysis program2/2 JWMVS-529 CDmultivariate SSE analysis program Th e f u nc ti o n of a p rotei n o r peptide i s c lose l y related t o its st ru c ture. Sin c e CD m easu remen t s pr o b e a m i n o a cid stru c ture c h a ng e s ， CD is w i d ely us e d f o r t he str uc tu r a l a n alysis of pro t e i n a n d p ept i de molecu l es fo r mu l ated f o r ph arma c eu ti c a l u se. CD sp e c tra l s h a pe s ref l ect th e a bu ndan ce r a ti o of s eco n da ry s tructu re moti f s i n pr otei n s a n d poly-peptides a n d secondary str u ctu r e a n a l ysis o f CD d at a pr ovi d e s a f a st a nd a c c u r a te in d i ca t i o n of c h ang e in th e s e s tr u ctu re s . Th e J WSS E-513 P ro t ei n S e co n dary St ru c tu r e A n alysis pr ogram u ses the C l assica l Least Sq u a r es (C L S) method，in clu di ng a r ef e r e nc e s p ectra se t of Y a n g 1 a n d R eed 2. Th e Y a ng r efe r e n ce sp ec tra a re e xtract ed f r om th e C D spe ctra o f pr oteins a n d a r e b est s u ited fo r pr o tein secondary stru c ture an aly s i s . O n th e oth e r h an d， the R e ed r efe r e nc e s pe c tra a r e e x tr a c t e d f ro m th e CD sp ectr a of pept ides a n d a re sui ta bl e fo r the seco n dary stru c ture an a lys i s of p e p t i des. Th e t w o re f ere n c e sp e ctr a a r e s ep a r at e du e t o t he a r o m a ti c si d e chain r esi d ue b a nd s th at a re o b s e rv ed i n the CD s pe c t r a o f pr oteins b u t no t p ept i des . Th e JWMVS-529 M u ltiva r i a te SSE analysis prog ra m in cludes a l i br a ry o f 26 pro t e in C D spe ct ra (176-260 n m) wh i c h u s e a ca li bra ti o n mod e l b as e d o n th e s p ectra an d c rea t ed by JASCO. A Pa r tial Least Squares (PLS) me t h od w ith the lates t mu l t iv a ri a t e ana ly s i s method and Princ ip l e C om p o n e nt R e g re s si on (P CR) me t h o d are i n clu d e d . In the PLS a n d P CR m ethods， th e spec tr a r e l y o n a few potential factor fo r whic h the co n cen t rati o n i s de t e r m in ed. TO min i mize the res i d u a l e rr or o f t h e co n cen t ration ， the a bun dance ra ti o of th e second a ry str u ctu r e i s c a lcu l ated . Th is signi f ican tl y improves t h e a n a ly s i s a c c ur ac y of the B -s h eet m oti f ， w h i c h ha s n o s t r ong， speci f ic C D mark e r b a n d. T h is app li catio n no t e h i ghl i ghts th e features of the JWSEE-513 a n d JWMVS-529 Secondary S tru c tu re A n alysis p r ogr a ms. 28600 Mary's Court ， Ea s t on， MD 21601 U S A Appl i cat i on Note Keywords Seco n da r y str u ct ur e a n a l ysis， mu lti va ri a t e， PLS m ethod， PC R method ， JWSEE-513， J WM V S-529， bio c hem i stry Features ·PL S and PC R method s a r e m u ch more prec i se multiv a riate anal y sis m e th o d s com p ared w i th the CLS me th od， w h i c h ha s b een tr aditi o nall y u sed f or pr o t ei n seco nd a r y s tru c t u re a n a ly sis ·Ve r ifi e s the c a li bra ti o n m od e l u s i ng c r o s s-vali d ati o n (Fi g u r e 1) ·Ed it s th e ra ti o of secondar y st r u c ture a nd refe r e n ce spec tr a ·Va li d at es the an a lys i s r esu lt u sing a F -t est · V e r ification of reca l c u latio n a n d c al c u l ated result s (GL P /GMP com p liant) ·21 CF R Par t 11 co mplia n t ·I n c l u des CD s p ectra (176-260 nm) o f 26 pr ot e i n s wi th a cali b rati o n model b a se d o n th ose s p ectra Figure 1. Results of cross-validation using the PLS and PCR methods References 1. Yang ，J. T.， Wu， C .S.C .， a n d H. M . M a r tin ez， M et h os in Enzymolo g y (1986)，130，208-269. 2. J. Reed a n d T . A. Reed， An al . Bio c hem ， (1997)，254，36-40. JASCO INC. 28600 Mary's Cour t ， E asto n ， MD 21601US A