{"id":26101,"date":"2023-01-06T14:55:00","date_gmt":"2023-01-06T17:55:00","guid":{"rendered":"https:\/\/mindthegraph.com\/blog\/publication-bias-copy\/"},"modified":"2023-01-12T17:14:12","modified_gmt":"2023-01-12T20:14:12","slug":"molecule-design","status":"publish","type":"post","link":"https:\/\/mindthegraph.com\/blog\/lt\/molekuliu-projektavimas\/","title":{"rendered":"Kas yra molekul\u0117s dizainas ir kokia jo paskirtis?"},"content":{"rendered":"

Pastaruoju metu labai pager\u0117jo l\u0105steli\u0173 ir molekulin\u0117s biologijos supratimas. Po \u0161i\u0173 svarbi\u0173 atradim\u0173 mokslas pradeda \u017eengti \u012f priek\u012f, ie\u0161kodamas nauj\u0173 atsakym\u0173 \u012f senas problemas.<\/p>\n\n\n\n

Vienas i\u0161 \u0161i\u0173 nuolatini\u0173 mokslo pasiekim\u0173 yra molekuli\u0173 dizainas. \u0160iame straipsnyje paprastai ir dinami\u0161kai su\u017einosite daugiau apie molekuli\u0173 projektavim\u0105 ir pagrindinius jo tikslus.<\/p>\n\n\n\n

Kas yra molekul\u0117?<\/h2>\n\n\n\n

Molekul\u0117 - tai dviej\u0173 ar daugiau atom\u0173 grup\u0117, kartu sudaranti ma\u017eiausi\u0105 atpa\u017e\u012fstam\u0105 vienet\u0105, \u012f kur\u012f galima suskaidyti gryn\u0105 med\u017eiag\u0105, i\u0161saugant jos turin\u012f ir chemines savybes. Molekul\u0117s \u017eymimos elemento simboliu ir apatiniu indeksu, nurodan\u010diu atom\u0173 skai\u010di\u0173.<\/p>\n\n\n\n

Diatomin\u0117s molekul\u0117s susidaro, kai susijungia tik du atomai. Anglies monoksidas (CO) yra dviatom\u0117 molekul\u0117, sudaryta i\u0161 vieno anglies atomo ir vieno deguonies atomo. Homonuklearin\u0117 diatomin\u0117 molekul\u0117 susidaro, kai susijungia du visi\u0161kai to paties elemento, pavyzd\u017eiui, deguonies (O2) ir azoto (N) (N2), atomai. Daugiaatom\u0117s molekul\u0117s, pavyzd\u017eiui, vandens (H2O) ir anglies dioksido, susideda i\u0161 daugiau nei dviej\u0173 atom\u0173 (CO2). Polimerai yra didesn\u0117s molekul\u0117s, kurias gali sudaryti t\u016bkstan\u010diai atom\u0173.<\/p>\n\n\n\n

Atomai, kaip molekul\u0117s, gali jungtis \u012fvairiais b\u016bdais. Kelios molekul\u0117s gali susidaryti sujungus tuos pa\u010dius atomus skirtingais kiekiais. Vanduo (H2O) susidaro i\u0161 dviej\u0173 vandenilio atom\u0173 ir vieno deguonies atomo, o vandenilio peroksidas - i\u0161 dviej\u0173 vandenilio atom\u0173 ir dviej\u0173 deguonies atom\u0173 (H2O2). Be to, tie patys atomai gali susijungti tais pa\u010diais santykiais, ta\u010diau skirtingos fizin\u0117s strukt\u016bros. Molekul\u0117s fizin\u0117 strukt\u016bra lemia jos savybes. <\/p>\n\n\n\n

Molekul\u0117s dizainas<\/h2>\n\n\n\n

Molekul\u0117s dizainas - tai in\u017einerin\u0117 ir (arba) mokslin\u0117 konstrukcija, kuria sujungiami du ar daugiau komponent\u0173, kad b\u016bt\u0173 sukurtas naujas biologinis agentas.<\/p>\n\n\n\n

Chemikai pasitelkia technines \u017einias ir rankiniu b\u016bdu atlieka eksperimentus su molekuli\u0173 dizainu, \u012fvesdami ir pa\u0161alindami funkcines grupes - tam tikr\u0173 savybi\u0173 turin\u010dias atom\u0173 ir ry\u0161i\u0173 grupes. Net ir taikydami metodus, kurie numato idealias pageidaujamas savybes, chemikai vis tiek kiekvien\u0105 modifikavimo etap\u0105 turi atlikti rankiniu b\u016bdu. Tai gali u\u017etrukti ilgai kiekviename etape ir vis tiek negauti tinkam\u0173 savybi\u0173 turin\u010di\u0173 molekuli\u0173.<\/p>\n\n\n\n

<\/div>\n\n\n
\n
\"\"\/<\/figure><\/div>\n\n\n

<\/a><\/p>\n\n\n\n

<\/div>\n\n\n\n

Molekul\u0117s projektavimo tikslas<\/h2>\n\n\n\n

Farmacijos pramon\u0117je molekuli\u0173 dizainas yra vertingas turtas. Kiekvien\u0105 kart\u0105, kai pristatomas naujas vaistas nuo v\u0117\u017eio, tai rei\u0161kia mokslinink\u0173, kurie daug met\u0173 dirbo u\u017ekulisiuose, kad sukurt\u0173 ir i\u0161bandyt\u0173 nauj\u0105 molekul\u0117s dizain\u0105, pastangas.<\/p>\n\n\n\n

Modifikuojant molekul\u0117s dizain\u0105 siekiama, kad vaistas b\u016bt\u0173 kuo veiksmingesnis, bet kartu saugus ir paprastas gaminti. Atliekant tokio pob\u016bd\u017eio darb\u0105 reikia sukurti kiekvien\u0105 alternatyvi\u0105 molekul\u0117s strukt\u016br\u0105 bandymui, o tai yra daug laiko reikalaujanti operacija, net jei tyr\u0117jai ketina pakoreguoti tik vien\u0105 anglies atom\u0105, tyr\u0117jai turi pasirinkti i\u0161 t\u016bkstan\u010di\u0173 skirting\u0173 galimybi\u0173 sukurti \u0161i\u0105 strukt\u016br\u0105.<\/p>\n\n\n\n

Vienas i\u0161 b\u016bd\u0173 - naudoti kompiuterizuot\u0105 molekulin\u012f projektavim\u0105 (CAMD). Vaist\u0173 k\u016brimas - tai problem\u0173 sprendimo procesas, kuris prasideda nuo tikslo lokalizuoti tinkam\u0105 molekul\u0119 ir tinkam\u0105 fizikin\u0119-chemin\u0119 savyb\u0119 tam tikroje molekulin\u0117je erdv\u0117je. \u010cia pradeda veikti CAMD algoritmas, kuriuo projektuojami ir kuriami veiklieji vaist\u0173 komponentai, taip pat molekul\u0117s projektavimas, kai parenkamos pagalbin\u0117s med\u017eiagos ir ne\u0161iklio molekul\u0117s. <\/p>\n\n\n\n

CAMD atvyko pademonstruoti, kaip jis gali spr\u0119sti farmacijos sunkumus ir kaip daug laiko reikalaujan\u010dius bandym\u0173 ir klaid\u0173 metodus galima i\u0161 esm\u0117s pakeisti kompiuteriniais metodais. <\/p>\n\n\n\n

Kuriami keli nauji metodai, pvz. MIT tyr\u0117j\u0173 sukurtas ma\u0161ininio mokymosi modelis.<\/a> kuri gali pad\u0117ti chemikams daug grei\u010diau pagaminti didesnio stiprumo molekules, automatizuojant molekuli\u0173 projektavim\u0105 ir taip pagreitinant vaist\u0173 k\u016brim\u0105. <\/p>\n\n\n\n

<\/div>\n\n\n
\n
\"\"\/<\/figure><\/div>\n\n\n

<\/a><\/p>\n\n\n\n

<\/div>\n\n\n\n

Dirbkite kartu su kompetentingais grafikos dizaineriais, kad sukurtum\u0117te tinkam\u0105 iliustracij\u0105 savo tyrimui.<\/h2>\n\n\n\n

65% populiacijos sudaro besimokantys regos, o regos sutrikim\u0173 turintys mokiniai sudaro 65% populiacijos, remiantis tyrimu<\/a>, vaizdini\u0173 element\u0173 integravimas \u012f straipsnius, siekiant perteikti istorij\u0105, gali b\u016bti veiksmingesnis. Infografikoje naudojamos vaizdin\u0117s priemon\u0117s, pavyzd\u017eiui, diagramos, grafikai ir diagramos, kurios padeda \u017emon\u0117ms suvokti sud\u0117tingus dalykus. Bendradarbiaukite su Atminkite grafik\u0105<\/a>ekspert\u0173 grafikos dizaineri\u0173, kad sukurtum\u0117te tinkam\u0105 iliustracij\u0105 savo tyrimui ir padidintum\u0117te savo darbo \u017einomum\u0105!<\/p>\n\n\n\n

<\/div>\n\n\n
\n
\"\"<\/figure><\/div>\n\n\n
<\/div>\n\n\n\n
\n
Iliustracijomis pagausinkite mano tyrimus<\/a><\/div>\n<\/div>\n\n\n\n
<\/div>\n\n\n\n
<\/div>\n\n\n\n

<\/p>","protected":false},"excerpt":{"rendered":"

Pastaruoju metu l\u0105stelin\u0117 ir molekulin\u0117 biologija labai patobul\u0117jo; su\u017einokite, kas yra molekuli\u0173 projektavimas ir kaip jis kei\u010dia moksl\u0105.<\/p>","protected":false},"author":28,"featured_media":26109,"comment_status":"closed","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":[],"categories":[959,28],"tags":[],"yoast_head":"\nWhat is a Molecule Design and what purpose does it serve?<\/title>\n<meta name=\"description\" content=\"Cellular and molecular biology has lately improved substantially; find out what molecule design is and how it is revolutionizing science.\" \/>\n<meta name=\"robots\" content=\"index, follow, max-snippet:-1, max-image-preview:large, max-video-preview:-1\" \/>\n<link rel=\"canonical\" href=\"https:\/\/mindthegraph.com\/blog\/lt\/molekuliu-projektavimas\/\" \/>\n<meta property=\"og:locale\" content=\"lt_LT\" \/>\n<meta property=\"og:type\" content=\"article\" \/>\n<meta property=\"og:title\" content=\"What is a Molecule Design and what purpose does it serve?\" \/>\n<meta property=\"og:description\" content=\"Cellular and molecular biology has lately improved substantially; find out what molecule design is and how it is revolutionizing science.\" \/>\n<meta property=\"og:url\" content=\"https:\/\/mindthegraph.com\/blog\/lt\/molekuliu-projektavimas\/\" \/>\n<meta property=\"og:site_name\" content=\"Mind the Graph Blog\" \/>\n<meta property=\"article:published_time\" content=\"2023-01-06T17:55:00+00:00\" \/>\n<meta property=\"article:modified_time\" content=\"2023-01-12T20:14:12+00:00\" \/>\n<meta property=\"og:image\" content=\"https:\/\/mindthegraph.com\/blog\/wp-content\/uploads\/2023\/01\/what-is-molecule-design-blog.jpg\" \/>\n\t<meta property=\"og:image:width\" content=\"1123\" \/>\n\t<meta property=\"og:image:height\" content=\"612\" \/>\n\t<meta property=\"og:image:type\" content=\"image\/jpeg\" \/>\n<meta name=\"author\" content=\"Jessica Abbadia\" \/>\n<meta name=\"twitter:card\" content=\"summary_large_image\" \/>\n<meta name=\"twitter:title\" content=\"What is a Molecule Design and what purpose does it serve?\" \/>\n<meta name=\"twitter:description\" content=\"Cellular and molecular biology has lately improved substantially; find out what molecule design is and how it is revolutionizing science.\" \/>\n<meta name=\"twitter:image\" content=\"https:\/\/mindthegraph.com\/blog\/wp-content\/uploads\/2023\/01\/what-is-molecule-design-blog.jpg\" \/>\n<meta name=\"twitter:label1\" content=\"Written by\" \/>\n\t<meta name=\"twitter:data1\" content=\"Jessica Abbadia\" \/>\n\t<meta name=\"twitter:label2\" content=\"Est. reading time\" \/>\n\t<meta name=\"twitter:data2\" content=\"4 minutes\" \/>\n<!-- \/ Yoast SEO plugin. -->","yoast_head_json":{"title":"What is a Molecule Design and what purpose does it serve?","description":"Cellular and molecular biology has lately improved substantially; find out what molecule design is and how it is revolutionizing science.","robots":{"index":"index","follow":"follow","max-snippet":"max-snippet:-1","max-image-preview":"max-image-preview:large","max-video-preview":"max-video-preview:-1"},"canonical":"https:\/\/mindthegraph.com\/blog\/lt\/molekuliu-projektavimas\/","og_locale":"lt_LT","og_type":"article","og_title":"What is a Molecule Design and what purpose does it serve?","og_description":"Cellular and molecular biology has lately improved substantially; find out what molecule design is and how it is revolutionizing science.","og_url":"https:\/\/mindthegraph.com\/blog\/lt\/molekuliu-projektavimas\/","og_site_name":"Mind the Graph Blog","article_published_time":"2023-01-06T17:55:00+00:00","article_modified_time":"2023-01-12T20:14:12+00:00","og_image":[{"width":1123,"height":612,"url":"https:\/\/mindthegraph.com\/blog\/wp-content\/uploads\/2023\/01\/what-is-molecule-design-blog.jpg","type":"image\/jpeg"}],"author":"Jessica Abbadia","twitter_card":"summary_large_image","twitter_title":"What is a Molecule Design and what purpose does it serve?","twitter_description":"Cellular and molecular biology has lately improved substantially; find out what molecule design is and how it is revolutionizing science.","twitter_image":"https:\/\/mindthegraph.com\/blog\/wp-content\/uploads\/2023\/01\/what-is-molecule-design-blog.jpg","twitter_misc":{"Written by":"Jessica Abbadia","Est. reading time":"4 minutes"},"schema":{"@context":"https:\/\/schema.org","@graph":[{"@type":"WebPage","@id":"https:\/\/mindthegraph.com\/blog\/molecule-design\/","url":"https:\/\/mindthegraph.com\/blog\/molecule-design\/","name":"What is a Molecule Design and what purpose does it serve?","isPartOf":{"@id":"https:\/\/mindthegraph.com\/blog\/#website"},"datePublished":"2023-01-06T17:55:00+00:00","dateModified":"2023-01-12T20:14:12+00:00","author":{"@id":"https:\/\/mindthegraph.com\/blog\/#\/schema\/person\/96ecc2d785106e951f7773dc7c96d699"},"description":"Cellular and molecular biology has lately improved substantially; find out what molecule design is and how it is revolutionizing science.","breadcrumb":{"@id":"https:\/\/mindthegraph.com\/blog\/molecule-design\/#breadcrumb"},"inLanguage":"lt-LT","potentialAction":[{"@type":"ReadAction","target":["https:\/\/mindthegraph.com\/blog\/molecule-design\/"]}]},{"@type":"BreadcrumbList","@id":"https:\/\/mindthegraph.com\/blog\/molecule-design\/#breadcrumb","itemListElement":[{"@type":"ListItem","position":1,"name":"Home","item":"https:\/\/mindthegraph.com\/blog\/"},{"@type":"ListItem","position":2,"name":"What is a Molecule Design and what purpose does it serve?"}]},{"@type":"WebSite","@id":"https:\/\/mindthegraph.com\/blog\/#website","url":"https:\/\/mindthegraph.com\/blog\/","name":"Mind the Graph Blog","description":"Your science can be beautiful!","potentialAction":[{"@type":"SearchAction","target":{"@type":"EntryPoint","urlTemplate":"https:\/\/mindthegraph.com\/blog\/?s={search_term_string}"},"query-input":"required name=search_term_string"}],"inLanguage":"lt-LT"},{"@type":"Person","@id":"https:\/\/mindthegraph.com\/blog\/#\/schema\/person\/96ecc2d785106e951f7773dc7c96d699","name":"Jessica Abbadia","image":{"@type":"ImageObject","inLanguage":"lt-LT","@id":"https:\/\/mindthegraph.com\/blog\/#\/schema\/person\/image\/","url":"https:\/\/secure.gravatar.com\/avatar\/f477bd20199beb376b04b2fda9a2cec5?s=96&d=mm&r=g","contentUrl":"https:\/\/secure.gravatar.com\/avatar\/f477bd20199beb376b04b2fda9a2cec5?s=96&d=mm&r=g","caption":"Jessica Abbadia"},"description":"Jessica Abbadia is a lawyer that has been working in Digital Marketing since 2020, improving organic performance for apps and websites in various regions through ASO and SEO. Currently developing scientific and intellectual knowledge for the community's benefit. Jessica is an animal rights activist who enjoys reading and drinking strong coffee.","sameAs":["https:\/\/www.linkedin.com\/in\/jessica-abbadia-9b834a13b\/"],"url":"https:\/\/mindthegraph.com\/blog\/lt\/author\/jessica\/"}]}},"_links":{"self":[{"href":"https:\/\/mindthegraph.com\/blog\/lt\/wp-json\/wp\/v2\/posts\/26101"}],"collection":[{"href":"https:\/\/mindthegraph.com\/blog\/lt\/wp-json\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/mindthegraph.com\/blog\/lt\/wp-json\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/mindthegraph.com\/blog\/lt\/wp-json\/wp\/v2\/users\/28"}],"replies":[{"embeddable":true,"href":"https:\/\/mindthegraph.com\/blog\/lt\/wp-json\/wp\/v2\/comments?post=26101"}],"version-history":[{"count":3,"href":"https:\/\/mindthegraph.com\/blog\/lt\/wp-json\/wp\/v2\/posts\/26101\/revisions"}],"predecessor-version":[{"id":26122,"href":"https:\/\/mindthegraph.com\/blog\/lt\/wp-json\/wp\/v2\/posts\/26101\/revisions\/26122"}],"wp:featuredmedia":[{"embeddable":true,"href":"https:\/\/mindthegraph.com\/blog\/lt\/wp-json\/wp\/v2\/media\/26109"}],"wp:attachment":[{"href":"https:\/\/mindthegraph.com\/blog\/lt\/wp-json\/wp\/v2\/media?parent=26101"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/mindthegraph.com\/blog\/lt\/wp-json\/wp\/v2\/categories?post=26101"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/mindthegraph.com\/blog\/lt\/wp-json\/wp\/v2\/tags?post=26101"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}