The role of long-range intermolecular interactions in discovery of new drugs
Abstract
Introduction: Long-range intermolecular interactions (interactions at distances between 100 and 1000 A) play an important role in the interaction between drugs and therapeutic targets, and design techniques based on this concept could significantly improve and accelerate new drug discovery. Understanding these long-range intermolecular interactions will also help further our understanding of the molecular mechanisms and the underlying basic biological processes. Areas covered: This article looks at the physical bases of long-range intermolecular interactions in biological systems with a brief review of the literature data to support this concept. The article also gives some examples of techniques used in drug discovery that were based on the long-range intermolecular interaction concept. Expert opinion: The electron-ion interaction potential (EIIP) and average quasivalence number (AQVN) concepts shed new light on the role of long-range intermolecular interactions in biological systems.... Further research of physicochemical mechanisms underlying long-range interactions between biological molecules is necessary for a better understanding of the basic biological processes. The addition of the computer-aided design techniques based on the EIIP/AQVN concept to the research and development will lead not only to a significant reduction in cost but also to an acceleration in the development of new drugs.
Keywords:
drug discovery / long-range intermolecular interactions / molecular descriptors / virtual screeningSource:
Expert Opinion on Drug Discovery, 2011, 6, 12, 1263-1270Funding / projects:
- Application of the EIIP/ISM bioinformatics platform in discovery of novel therapeutic targets and potential therapeutic molecules (RS-MESTD-Basic Research (BR or ON)-173001)
DOI: 10.1517/17460441.2012.638280
ISSN: 1746-0441
PubMed: 22647065
WoS: 000297854400004
Scopus: 2-s2.0-83455201155
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Institution/Community
VinčaTY - JOUR AU - Veljković, Nevena V. AU - Glišić, Sanja AU - Perović, Vladimir R. AU - Veljković, Veljko PY - 2011 UR - https://vinar.vin.bg.ac.rs/handle/123456789/4595 AB - Introduction: Long-range intermolecular interactions (interactions at distances between 100 and 1000 A) play an important role in the interaction between drugs and therapeutic targets, and design techniques based on this concept could significantly improve and accelerate new drug discovery. Understanding these long-range intermolecular interactions will also help further our understanding of the molecular mechanisms and the underlying basic biological processes. Areas covered: This article looks at the physical bases of long-range intermolecular interactions in biological systems with a brief review of the literature data to support this concept. The article also gives some examples of techniques used in drug discovery that were based on the long-range intermolecular interaction concept. Expert opinion: The electron-ion interaction potential (EIIP) and average quasivalence number (AQVN) concepts shed new light on the role of long-range intermolecular interactions in biological systems. Further research of physicochemical mechanisms underlying long-range interactions between biological molecules is necessary for a better understanding of the basic biological processes. The addition of the computer-aided design techniques based on the EIIP/AQVN concept to the research and development will lead not only to a significant reduction in cost but also to an acceleration in the development of new drugs. T2 - Expert Opinion on Drug Discovery T1 - The role of long-range intermolecular interactions in discovery of new drugs VL - 6 IS - 12 SP - 1263 EP - 1270 DO - 10.1517/17460441.2012.638280 ER -
@article{ author = "Veljković, Nevena V. and Glišić, Sanja and Perović, Vladimir R. and Veljković, Veljko", year = "2011", abstract = "Introduction: Long-range intermolecular interactions (interactions at distances between 100 and 1000 A) play an important role in the interaction between drugs and therapeutic targets, and design techniques based on this concept could significantly improve and accelerate new drug discovery. Understanding these long-range intermolecular interactions will also help further our understanding of the molecular mechanisms and the underlying basic biological processes. Areas covered: This article looks at the physical bases of long-range intermolecular interactions in biological systems with a brief review of the literature data to support this concept. The article also gives some examples of techniques used in drug discovery that were based on the long-range intermolecular interaction concept. Expert opinion: The electron-ion interaction potential (EIIP) and average quasivalence number (AQVN) concepts shed new light on the role of long-range intermolecular interactions in biological systems. Further research of physicochemical mechanisms underlying long-range interactions between biological molecules is necessary for a better understanding of the basic biological processes. The addition of the computer-aided design techniques based on the EIIP/AQVN concept to the research and development will lead not only to a significant reduction in cost but also to an acceleration in the development of new drugs.", journal = "Expert Opinion on Drug Discovery", title = "The role of long-range intermolecular interactions in discovery of new drugs", volume = "6", number = "12", pages = "1263-1270", doi = "10.1517/17460441.2012.638280" }
Veljković, N. V., Glišić, S., Perović, V. R.,& Veljković, V.. (2011). The role of long-range intermolecular interactions in discovery of new drugs. in Expert Opinion on Drug Discovery, 6(12), 1263-1270. https://doi.org/10.1517/17460441.2012.638280
Veljković NV, Glišić S, Perović VR, Veljković V. The role of long-range intermolecular interactions in discovery of new drugs. in Expert Opinion on Drug Discovery. 2011;6(12):1263-1270. doi:10.1517/17460441.2012.638280 .
Veljković, Nevena V., Glišić, Sanja, Perović, Vladimir R., Veljković, Veljko, "The role of long-range intermolecular interactions in discovery of new drugs" in Expert Opinion on Drug Discovery, 6, no. 12 (2011):1263-1270, https://doi.org/10.1517/17460441.2012.638280 . .