Browsing by Author "Dabir, Safa Rafique (17PH07)"

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    Computer aided drug design, its success and limitation
    (AIKTC, 2020-05) Ansari, Nikhat; Bengal, Gajanan Bhujangrao (17PH05); Dabir, Safa Rafique (17PH07); KArbari, Tuba Salim (17PH16); Sayyed, Gufran Ali Meer Ajagar Ali (17PH42)
    Moderndrugdiscoveryischaracterizedbytheproductionofvastquantitiesofcompoundsand theneedtoexaminethesehugelibrariesinshortperiodsoftime Theneedtostore,manageandanalyzetheserapidlyincreasingresourceshasgivenrisetothe fieldknownascomputer-aideddrugdesign(CADD). CADDrepresentscomputationalmethodsandresourcesthatareusedtofacilitatethedesign anddiscoveryofnewtherapeuticsolutions. Digitalrepositories,containingdetailedinformationondrugsandotherusefulcompounds,are goldminesfortheStudyofchemicalreactionscapabilities.Designlibraries,withthepotentialto generatemolecularvariantsintheirentirety,allowtheselectionandsamplingofchemical compoundswithdiversecharacteristics. Structure-baseddrugdesignandligand-baseddrugdesign aretwomethodscommonlyusedincomputer-aideddrugdesign.Inthisarticle,wediscussthe theorybehindbothmethods,aswellas theirsuccessfulapplicationsandlimitations.