Computer aided drug design, its success and limitation

Ansari, Nikhat; Bengal, Gajanan Bhujangrao (17PH05); Dabir, Safa Rafique (17PH07); KArbari, Tuba Salim (17PH16); Sayyed, Gufran Ali Meer Ajagar Ali (17PH42)

dc.contributor.author	Ansari, Nikhat
dc.contributor.author	Bengal, Gajanan Bhujangrao (17PH05)
dc.contributor.author	Dabir, Safa Rafique (17PH07)
dc.contributor.author	KArbari, Tuba Salim (17PH16)
dc.contributor.author	Sayyed, Gufran Ali Meer Ajagar Ali (17PH42)
dc.date.accessioned	2021-11-12T05:40:09Z
dc.date.available	2021-11-12T05:40:09Z
dc.date.issued	2020-05
dc.identifier.uri	http://localhost:8080/xmlui/handle/123456789/3685
dc.description.abstract	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.	en_US
dc.language.iso	en	en_US
dc.publisher	AIKTC	en_US
dc.subject	Project Report - SoP	en_US
dc.title	Computer aided drug design, its success and limitation	en_US
dc.type	Project Report	en_US