Discovery of the EL-0052 as a potential anesthetic drug

Jiang, Junhao; Xu, Xinping; Jiang, Wen; Wang, Tao; Liu, Xin; Zeng, Lingguo; Liao, Jian Min; Xiu, Jingya; Shen, Yi; Deng, Peihong; Li, Qin-geng

doi:10.1016/j.csbj.2021.01.002

Cited by 5 publications

(5 citation statements)

References 45 publications

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“…Another approach is to refine currently available drugs by optimizing PK/PD parameters. Jiang et al utilized molecular docking and PK prediction techniques to design etomidate analogs that exhibit comparable anesthetic potency while avoiding adrenocortical suppression [138].…”

Section: Evaluation Of Admet Propertiesmentioning

confidence: 99%

Anesthetic drug discovery with computer-aided drug design and machine learning

Liu,

Xue,

Luo

et al. 2024

APS

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Computer-aided drug design (CADD) has emerged as a highly effective and indispensable tool for streamlining the drug discovery process, leading to significant reductions in cost and time. The integration of CADD with machine learning (ML) and deep learning (DL) technologies further enhances its potential and promises novel advancements in the field. In this article, we provide a review of the computational methods employed in the development of novel anesthetics, outlining their respective advantages and limitations. These techniques have demonstrated their utility across various stages of drug discovery, encompassing the exploration of target-ligand interactions, identification and validation of new binding sites, de novo drug design, evaluation and optimization of absorption, distribution, metabolism, excretion, and toxicity (ADMET) properties in lead compounds, as well as prediction of adverse effects. Through an in-depth exploration of computational approaches and their applications, this article aims to help relevant researchers develop safer and more effective anesthetic drugs.

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Section: Evaluation Of Admet Propertiesmentioning

confidence: 99%

Anesthetic drug discovery with computer-aided drug design and machine learning

Liu,

Xue,

Luo

et al. 2024

APS

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“…Propofol is a hypnotic drug approved in 2001. It is slightly soluble with log p and water‐solubility of 3.64 (Jiang et al, 2021) and 0.13 mg/ml (Kumpulainen et al, 2008), respectively. Therefore, it is formulated as oil in water emulsion for intravenous use, resulting in pain at the injection site.…”

Section: Phosphate Prodrugsmentioning

confidence: 99%

“…Propofol is a hypnotic drug approved in 2001. It is slightly soluble with log p and water-solubility of 3.64 (Jiang et al, 2021) and 0.13 mg/ml (Kumpulainen et al, 2008), respectively.…”

mentioning

confidence: 99%

Phosphate moiety in FDA‐approved pharmaceutical salts and prodrugs

Fulmali

Bharate

2022

Drug Development Research

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The salification and prodrug approaches modulate the physicochemical properties and absorption, distribution, metabolism, excretion, and toxicity parameters of drugs and lead candidates. The "phosphate" is one of the key counterions/promoiety used in the salt formation and prodrug synthesis. Salification with phosphoric acid enhances the aqueous solubility and thereby facilitates the administration of a drug by the parenteral route. Phosphate moiety in prodrug synthesis mainly improves permeability by lipophilic substitution. Histamine phosphate is the first phosphate salt, and hydrocortisone phosphate was the first prodrug approved by FDA in 1939 and 1952, respectively. The orange book enlists 12 phosphate salts and 17 phosphate prodrugs.Phosphate prodrugs, namely combretastatin A-4 diphosphate, combretastatin A-4 phosphate, lufotrelvir, TP-1287, pyridoxal phosphate, riboflavin phosphate, and psilocybin are clinical candidates. This review focuses on the FDA-approved phosphate salts and prodrugs from 1939 to 2021. The biopharmaceutical advantage of phosphate salts and prodrugs over the parent molecule is also deliberated.

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“…Further studies are needed to investigate its utility for NORA procedures. Another etomidate analog, Fluoroetomidate (EL-0052), has shown similar efficacy as etomidate but without adrenal suppression through in vivo studies in rats and mice [32].…”

Section: Etomidatementioning

confidence: 99%

Sedation-analgesia techniques for nonoperating room anesthesia: an update

Khorsand¹,

Karamchandani²,

Joshi³

2022

Current Opinion in Anaesthesiology

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Purpose of reviewThere has been a substantial increase in nonoperating room anesthesia procedures over the years along with an increase in the complexity and severity of cases. These procedures pose unique challenges for anesthesia providers requiring meticulous planning and attention to detail. Advancements in the delivery of sedation and analgesia in this setting will help anesthesia providers navigate these challenges and improve patient safety and outcomes. Recent findingsThere has been a renewed interest in the development of newer sedative and analgesic drugs and delivery systems that can safely provide anesthesia care in challenging situations and circumstances. SummaryDelivery of anesthesia care in nonoperating room locations is associated with significant challenges. The advent of sedative and analgesic drugs that can be safely used in situations where monitoring capabilities are limited in conjunction with delivery systems, that can incorporate unique patient characteristics and ensure the safe delivery of these drugs, has the potential to improve patient safety and outcomes. Further research is needed in these areas to develop newer drugs and delivery systems.

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Discovery of the EL-0052 as a potential anesthetic drug

Cited by 5 publications

References 45 publications

Anesthetic drug discovery with computer-aided drug design and machine learning

Anesthetic drug discovery with computer-aided drug design and machine learning

Phosphate moiety in FDA‐approved pharmaceutical salts and prodrugs

Sedation-analgesia techniques for nonoperating room anesthesia: an update

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