2013
DOI: 10.2174/1568026611313100005
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Open Source Software and Web Services for Designing Therapeutic Molecules

Abstract: Despite the tremendous progress in the field of drug designing, discovering a new drug molecule is still a challenging task. Drug discovery and development is a costly, time consuming and complex process that requires millions of dollar and 10-15 years to bring new drug molecules in the market. This huge investment and long-term process are attributed to high failure rate, complexity of the problem and strict regulatory rules, in addition to other factors. Given the availability of 'big' data with ever improvi… Show more

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Cited by 26 publications
(15 citation statements)
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References 176 publications
(151 reference statements)
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“…We compared our repository or database with already existing repositories like database [3,[36][37][38][39][40][41][42][43]. In our study, we tried to address the shortcomings mentioned above by providing all the information related to Indian bioinformatics tools at a single platform.…”
Section: Comparison With Existing Resourcesmentioning
confidence: 99%
“…We compared our repository or database with already existing repositories like database [3,[36][37][38][39][40][41][42][43]. In our study, we tried to address the shortcomings mentioned above by providing all the information related to Indian bioinformatics tools at a single platform.…”
Section: Comparison With Existing Resourcesmentioning
confidence: 99%
“…Ýòîò àíàëèç ïîçâîëÿåò ïîëó÷èòü èíôîðìàöèþ î ìåõàíèçìàõ ðàçâèòèÿ çàáîëåâàíèé íà áîëåå âûñîêîì óðîâíå áèîëîãè÷åñêîé îðãàíèçàöèè, ÷åì îòäåëüíûå ãåíû, íàïðèìåð íà óðîâíå ñèãíàëüíûõ ïóòåé è ïàòîëîãè÷åñêèõ êëåòî÷íûõ ïðîöåññîâ. [38,39]. 58] ïðåäîñòàâëÿåò âîçìîaeíîñòè ðàñ÷åòà ðàçëè÷íûõ ñòðóêòóðíûõ äåñêðèïòîðîâ è ôèçèêî-õèìè÷åñêèõ ñâîéñòâ õèìè÷åñêèõ ñîåäèíåíèé, âêëþ÷àÿ îöåíêó ðàñòâîðèìîñòè õèìè÷åñêèõ ñîåäèíåíèé â âîäå è êîýôôèöèåíò ðàñïðåäåëåíèÿ "í-îêòàíîë -âîäà" (logP); àíàëèç âçàèìîñâÿçåé "ñòðóêòóðà -àêòèâíîñòü" íà îñíîâå îöåíêè ñõîäñòâà, ïîñòðîåíèå ðåãðåññèîííûõ óðàâíåíèé ìåòîäîì ÷àñòè÷íûõ íàèìåíüøèõ êâàäðàòîâ (PLS) è äð.…”
Section: èíôîðìàöèîííûå ðåñóðñû ïî ñåòåâîé ôàðìàêîëîãèèunclassified
“… íàñòîÿùåé ðàáîòå ìû ðàññìîòðåëè íàèáîëåå çíà÷èìûå, ñ íàøåé òî÷êè çðåíèÿ, ñâîáîäíî äîñòóïíûå èíôîðìàöèîííûå è âû÷èñëèòåëüíûå ðåñóðñû, èñïîëüçîâàíèå êîòîðûõ ïîçâîëÿåò ïîâûñèòü ýôôåêòèâíîñòü ïîèñêà è ñîçäàíèÿ íîâûõ ëåêàðñòâåííûõ ñðåäñòâ. Äîïîëíèòåëüíóþ èíôîðìàöèþ çàèíòåðåñîâàííûé ÷èòàòåëü ìîaeåò íàéòè â íåäàâíî îïóáëèêîâàííûõ îáçîðàõ [26,38,39,90,91].…”
Section: çàêëþ÷åíèåunclassified
“…There are various properties taken into account while screening through silico drug designing tools. For, e.g., solubility, topological polar surface area (TPSA), pKa, LogP, hydrogen bond donor/acceptor, molecular size, binding site, blood brain barrier penetration (for CNS drugs), rule of 5 [1].…”
Section: Editorialmentioning
confidence: 99%