Dab tsi yog computer aided drug design?
Dab tsi yog computer aided drug design?

Video: Dab tsi yog computer aided drug design?

Video: Dab tsi yog computer aided drug design?
Video: Basic Introduction to Computer Aided Drug Design-CADD 2024, Kaum ib hlis
Anonim

Khoos phis tawj - pab tsim tshuaj siv cov txheej txheem suav los tshawb pom, tsim kho, thiab tshuaj xyuas tshuaj thiab zoo li biologically active molecules. Lub ligand-based lub computer - pab nrhiav tshuaj (LB-CADD) txoj hauv kev suav nrog kev tsom xam ntawm ligands paub tias cuam tshuam nrog lub hom phiaj ntawm kev txaus siab.

Ua kom pom qhov no, CADD yog dab tsi hauv tshuaj chemistry?

Computer-Aided Drug Discovery ( CADD AMRI's computer-aided drug discovery ( CADD ) cov kev pabcuam siv computer software thiab chemistry simulation cov tswv yim los pab txheeb xyuas qhov tshiab hits lossis coj tawm tsam xaiv cov hom phiaj kho mob, nrog rau kev txhawb nqa tshuaj chemistry coj optimization cov kev pab cuam.

Tsis tas li ntawd, cov txheej txheem dab tsi yog siv hauv kev tsim tshuaj? Ob txoj kev siv ntau tshaj plaws rau kev txiav txim siab peb-dimensional qauv ntawm cov hom phiaj protein rau cov tshuaj yog X-ray crystallography thiab nuclear magnetic resonance spectroscopy . Novel high-throughput technologies nyob rau hauv cov tshuaj nrhiav pom uas siv cov tswv yim no yuav tham txog.

Kuj nug, dab tsi yog txhais los ntawm kev tsim tshuaj?

Tshuaj tsim , qee zaum hu ua rational tshuaj tsim los yog ntau yooj yim rational tsim , yog cov txheej txheem ntawm kev nrhiav cov tshuaj tshiab raws li kev paub txog lub hom phiaj lom neeg. Hom qauv no feem ntau hu ua computer-aided tshuaj tsim.

Cov tshuaj molecules yog dab tsi?

Me me molecule . Los ntawm Wikipedia, dawb encyclopedia. Hauv cov teb ntawm molecular biology thiab pharmacology, me me molecule yog qis molecular hnyav (< 900 daltons) organic compound uas yuav tswj tau cov txheej txheem lom neeg, nrog rau qhov loj ntawm qhov kev txiav txim ntawm 1 nm. Ntau tshuaj me me molecules.

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