Molecular Docking in Drug Discovery

Bhagat, Rani T.; Butle, Santosh R.; Khobragade, Deepak S.; Wankhede, Sagar B.; Prasad, Chandani C.; Mahure, Divyani S.; Armarkar, Ashwini V.

doi:10.9734/jpri/2021/v33i30b31639

Cited by 18 publications

(12 citation statements)

References 63 publications

(64 reference statements)

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“…The availability of powerful workstations, as well as the software to perform simulations are the reason behind the increase in mixed studies in the pharmaceutical field. Molecular docking was usually performed to reveal the binding modes of inhibitors and as virtual screening of potential candidates (Naqvi et al, 2018;Li et al, 2019;Pinzi & Rastelli, 2019;Bhagat et al, 2021), reducing the time and cost involved in the search for suitable compounds to be used in specific functions. Of the 574 records obtained, only two research reported calculations using the density functional theory (Leopoldini et al, 2008;Ali et al, 2020), even though it offers a higher accuracy in terms of molecular interactions.…”

Section: Discussionmentioning

confidence: 99%

More Than Five Decades of Research on Urease Inhibitors: A Bibliometric Study

Yaakob¹,

ANG²,

Nasir³

et al. 2022

JSSM

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This study focuses on works related to urease inhibitors published from 1970 to 2021, gathered from the Web of Science database. This paper aims to examine the trends of research involving urease inhibitors, as there have been no centralised study that utilises bibliometric methods on the related research fields, methods used, as well as collaborations. The total number of publications examined in this paper after filtering is 574 and the number of review articles on urease inhibitors is on the low side considering other research topics published within the 51-year period. Experimental works are still the core method of gathering information on the usefulness of urease inhibitors in all fields within the investigated time span. From the mid-2000s, theoretical investigations emerged as a complement to experimental research, mostly in the form of molecular docking studies. As in the other fields of study, theoretical works have been accepted as part of research methods to examine the molecular interactions between compounds and urease. The main partners to consider for cooperation in this field of study are those in Pakistan, China, the United States, New Zealand and Spain as their institutions house researchers that are outstanding in the field and they produce articles that are highly cited.

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Section: Discussionmentioning

confidence: 99%

More Than Five Decades of Research on Urease Inhibitors: A Bibliometric Study

Yaakob¹,

ANG²,

Nasir³

et al. 2022

JSSM

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“…ANC moms from the AVBR Hospital Sawangi Meghe Wardha are the subjects of section (B), which examines the assessment of maternal and newborn outcomes of oligohydramnios. In section (C), it is discussed how demographic factors and the maternal and newborn outcomes of oligohydramnios in ANC mothers from a particular hospital are related [19][20][21][22][23][24][25][26][27][28][29][30][31].…”

Section: Discussionmentioning

confidence: 99%

To Assess the Maternal and Neonatal Outcome of Oligohydramnios Among the Anc Mothers

Chaudhari¹,

Chaware²,

Chonde³

et al. 2022

Journal of Pharmaceutical Negative Results

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Background : Oligohydramnios is a condition in which the amniotic fluid volume (AFV) is lower than usual for the gestational age. The volume of the amniotic fluid changes throughout pregnancy and increases linearly up to 34–36 weeks, which results in a reduced post-term gestation. This pattern facilitates fundal height measurements and pregnancy ultrasound analysis for the clinical evaluation of AFV. After the sonography has thoroughly scanned the belly, the largest vertical pockets of amniotic fluid can be seen that are free of the unborn child's body components or umbilical cord. Both single-fetal and multifetal gestations are considered to have oligohydramnios if the pocket is smaller than 2 cm. Objective : To assess the maternal and neonatal outcome of oligohydramnios among the ANC mothers. To associate the maternal and neonatal outcome of oligohydramnios among the ANC mothers with selected demographic variables. Research Design : Research Approach descriptive Research Approach. Setting of the study: the study was conducted at AVBR Hospital sawangi Meghe Wardha Population : ANC mothers. Sampling technique : simple random sampling .Sample size : 25. CONCLUSION : In order to analyse the maternal and newborn outcome of oligohydramnios among ANC moms, the researcher used a descriptive research design, which is examined in the section that follows the thorough analysis in this thesis. Under the headings of sepsis, perineal laceration, postpartum haemorrhage, premature membrane rupture, placental insufficiency, twin to twin transfusion syndrome, and cardiomyopathy, the mother outcome is broken down. Additionally, the neonatal outcome is broken down into the categories of low birth weight, APGAR scores at 1 and 5 minutes, reflexes, congenital anomalies, admission to the NICU, intrauterine growth restriction, birth asphyxia, foetal distress, delayed lung maturation, preterm birth, and stillbirth.The demographic characteristics did not significantly affect the maternal or neonatal outcome of oligohydramnios. As a result of the assessment and low levels of amniotic fluid found in this study, it is advised that all women increase their ANC visits in order to lower the risk of oligohydramnios in ANC mothers.

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“…PTP was a very successful strategy for disseminating knowledge about how to avoid choking in the first place. With paired "t" =9.54 (df 49) at P=0.05 significance, the mean post-test level of knowledge is considerably more than the mean pre-test level intelligence, which was 17.6 in the pre-test and 24.7 in the post-test [26][27][28][29][30][31][32][33][34][35][36][37][38].…”

Section: Discussionmentioning

confidence: 99%

Role Plays Interventional Approach towards Mothers of Toddlers Regarding Prevention of Choking and Pulmonary Aspiration

Kumbhekar¹,

Madavi²,

Mahajan³

et al. 2022

Journal of Pharmaceutical Negative Results

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Background: Toddlers are exposed to a variety of risk factors which includes playing with small material like coins, marbles, rings, unsupervised play and eating, children with decreased consciousness which may leads to choking. Children's respiratory crises and cardiac arrest are frequently brought on by choking or the introduction of an outside object into the airway, especially in children within the 6 months and 3 years of age. Childhood injuries have recently been a public health concern due to the frequency of pulmonary aspiration and choking in children under two years old, as well as mother referrals to medical institutions. According to research conducted in the United States, choking on external items caused 2.9% of children under the age of 4 is prone to die.Aim and Objective: To assess effectiveness of role play regarding prevention of choking and pulmonary aspiration among the mothers of toddler and associate findings with demographic variables.Material and methods: This research were adopted a pre-post experimental research approach among mothers of toddler between the age group of 20-40. 135 mothers of toddler involved in this research. Data were analyzed using the IBM Corp. Released 2016. IBM SPSS Statistics for Windows, Version 26.0. Armonk, NY: IBM Corp. Qualitative variables were described as numbers and percentages.Results: Before intervention minimum knowledge score was 6.54 and maximum knowledge score percentage was 27.25%. After intervention maximum knowledge score was 70.12%. the average knowledge score has increased by 10.28 and currently represents 42.97% of the total possible points.Conclusion: Choking is a medical condition in which acute blockage of upper respiratory tract occur by a solid particle such as coins, lollypop, hairclips, grapes, marbles, foreign objects accidentally which leads to respiratory crisis like asphyxia as well as cardiac arrest. Toddlers and elderly age group are prone for choking and pulmonary aspiration, and it occur when the unsupervised play and eating, children with decreased consciousness which may leads to choking. It is incorrect to refer to any circumstances in which an obstruction of the airways causes a people to die as a result of choking. The word "choking" excludes deaths caused by diseases other than those caused by strangling, drowning, and gagging, which are all distinct medical conditions. Thus, the prevention of choking and pulmonary aspiration can be done by increasing knowledge and awareness about common sign and symptoms which includes gagging, watery eyes, reddening of face, coughing as well as teaching about preventive measures are choking technique which includes back blow and abdominal thrust and Heimlich maneuver among the mothers of toddler. In this study, the effectiveness of role play regarding prevention of choking and pulmonary aspiration among the mothers of toddler is improved from 26.96% to 70.12%.

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Molecular Docking in Drug Discovery

Cited by 18 publications

References 63 publications

More Than Five Decades of Research on Urease Inhibitors: A Bibliometric Study

More Than Five Decades of Research on Urease Inhibitors: A Bibliometric Study

To Assess the Maternal and Neonatal Outcome of Oligohydramnios Among the Anc Mothers

Role Plays Interventional Approach towards Mothers of Toddlers Regarding Prevention of Choking and Pulmonary Aspiration

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