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Article ; Online: Insights into the structural requirements of triazole derivatives as promising DPP IV inhibitors: computational investigations.

Shah, Bhumi M / Sagar, Sneha R / Trivedi, Priti

Journal of biomolecular structure & dynamics

2021 Volume 40, Issue 24, Page(s) 13778–13798

Abstract: Diabetes is one of the leading causes of death globally as per World Health Organization 2019. To cope up with side effects of current diabetes therapy, researchers have found several novel targets for the treatment of diabetes. Currently, dipeptidyl ... ...

Abstract	Diabetes is one of the leading causes of death globally as per World Health Organization 2019. To cope up with side effects of current diabetes therapy, researchers have found several novel targets for the treatment of diabetes. Currently, dipeptidyl peptidase IV (DPP IV) has emerged as a target in modulating the diabetes physiology. In the present work, various 3D-Quantitative structure activity relationship (QSAR) techniques namely comparative molecular field analysis (CoMFA), comparative molecular similarity indices analysis, topomer CoMFA and molecular hologram QSAR are used to explore the structural requirements of triazole derivatives as DPP IV inhibitors. Different models generated by 3D QSAR studies had acceptable statistical values for further prediction of molecules. From the contour maps of QSAR results, important structural features are deduced. Substitutions on N
MeSH term(s)	Humans ; Models, Molecular ; Dipeptidyl-Peptidase IV Inhibitors/pharmacology ; Dipeptidyl-Peptidase IV Inhibitors/chemistry ; Quantitative Structure-Activity Relationship ; Triazoles/pharmacology ; Triazoles/chemistry ; Diabetes Mellitus ; Molecular Docking Simulation
Chemical Substances	Dipeptidyl-Peptidase IV Inhibitors ; Triazoles
Language	English
Publishing date	2021-11-05
Publishing country	England
Document type	Journal Article
ZDB-ID	49157-3
ISSN	1538-0254 ; 0739-1102
ISSN (online)	1538-0254
ISSN	0739-1102
DOI	10.1080/07391102.2021.1994876
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Article ; Online: In silico studies on therapeutic agents for COVID-19: Drug repurposing approach.

Shah, Bhumi / Modi, Palmi / Sagar, Sneha R

Life sciences

2020 Volume 252, Page(s) 117652

Abstract: Aims: The severe acute respiratory syndrome coronavirus 2, better known as COVID-19 has become the current health concern to the entire world. Initially appeared in Wuhan, China around December 2019, it had spread to almost 187 countries due to its high ...

Abstract	Aims: The severe acute respiratory syndrome coronavirus 2, better known as COVID-19 has become the current health concern to the entire world. Initially appeared in Wuhan, China around December 2019, it had spread to almost 187 countries due to its high contagious nature. Precautionary measures remain the sole obliging tactic to cease the person to person transmissions till any effective method of treatment or vaccine is developed. Amidst the pandemic, research and development of new molecule is labour-intensive and tedious process. Drug repurposing is the concept of identifying therapeutically potent molecule from the library of pre-existing molecules. Materials and methods: In the present study, 61 molecules that are already being used in clinics or under clinical scrutiny as antiviral agents are surveyed via docking study. Docking study was performed using Maestro interface (Schrödinger Suite, LLC, NY). Key findings: Out of these 61 molecules, 37 molecules were found to interact with >2 protein structures of COVID-19. The docking results indicate that amongst the reported molecules, HIV protease inhibitors and RNA-dependent RNA polymerase inhibitors showed promising features of binding to COVID-19 enzyme. Along with these, Methisazone an inhibitor of protein synthesis, CGP42112A an angiotensin AT2 receptor agonist and ABT450 an inhibitor of the non-structural protein 3-4A might become convenient treatment option as well against COVID-19. Significance: The drug repurposing approach provide an insight about the therapeutics that might be helpful in treating corona virus disease.
MeSH term(s)	Antiviral Agents/chemistry ; Betacoronavirus/enzymology ; COVID-19 ; Computer Simulation ; Coronavirus 3C Proteases ; Coronavirus Infections/drug therapy ; Coronavirus Infections/virology ; Cysteine Endopeptidases/chemistry ; Drug Repositioning ; Molecular Docking Simulation ; Pandemics ; Pneumonia, Viral/drug therapy ; Pneumonia, Viral/virology ; SARS-CoV-2 ; Viral Nonstructural Proteins/antagonists & inhibitors ; Viral Nonstructural Proteins/chemistry
Chemical Substances	Antiviral Agents ; Viral Nonstructural Proteins ; Cysteine Endopeptidases (EC 3.4.22.-) ; Coronavirus 3C Proteases (EC 3.4.22.28)
Keywords	covid19
Language	English
Publishing date	2020-04-09
Publishing country	Netherlands
Document type	Journal Article
ZDB-ID	3378-9
ISSN	1879-0631 ; 0024-3205
ISSN (online)	1879-0631
ISSN	0024-3205
DOI	10.1016/j.lfs.2020.117652
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Article ; Online: In silico studies on therapeutic agents for COVID-19

Shah, Bhumi / Modi, Palmi / Sagar, Sneha R.

Life Sciences

Drug repurposing approach

2020 Volume 252, Page(s) 117652

Keywords	General Pharmacology, Toxicology and Pharmaceutics ; General Biochemistry, Genetics and Molecular Biology ; General Medicine ; covid19
Language	English
Publisher	Elsevier BV
Publishing country	us
Document type	Article ; Online
ZDB-ID	3378-9
ISSN	1879-0631 ; 0024-3205
ISSN (online)	1879-0631
ISSN	0024-3205
DOI	10.1016/j.lfs.2020.117652
Database	BASE - Bielefeld Academic Search Engine (life sciences selection)

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Article ; Online: Finding Needles in the Haystack: Strategies for Uncovering Noncoding Regulatory Variants.

Chen, You / Paramo, Mauricio I / Zhang, Yingying / Yao, Li / Shah, Sagar R / Jin, Yiyang / Zhang, Junke / Pan, Xiuqi / Yu, Haiyuan

Annual review of genetics

2023 Volume 57, Page(s) 201–222

Abstract: Despite accumulating evidence implicating noncoding variants in human diseases, unraveling their functionality remains a significant challenge. Systematic annotations of the regulatory landscape and the growth of sequence variant data sets have fueled ... ...

Abstract	Despite accumulating evidence implicating noncoding variants in human diseases, unraveling their functionality remains a significant challenge. Systematic annotations of the regulatory landscape and the growth of sequence variant data sets have fueled the development of tools and methods to identify causal noncoding variants and evaluate their regulatory effects. Here, we review the latest advances in the field and discuss potential future research avenues to gain a more in-depth understanding of noncoding regulatory variants.
MeSH term(s)	Humans ; Genetic Predisposition to Disease ; Genetic Variation/genetics ; Genome-Wide Association Study/methods ; Polymorphism, Single Nucleotide/genetics
Language	English
Publishing date	2023-08-10
Publishing country	United States
Document type	Journal Article ; Review ; Research Support, N.I.H., Extramural
ZDB-ID	207928-8
ISSN	1545-2948 ; 0066-4170 ; 0066-4197
ISSN (online)	1545-2948
ISSN	0066-4170 ; 0066-4197
DOI	10.1146/annurev-genet-030723-120717
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Article ; Online: Bruchs Membrane Opening Area Measurement in Healthy Nepalese Eyes.

Kharel Sitaula, Ranju / Shah, Ganga Sagar

Journal of Nepal Health Research Council

2024 Volume 21, Issue 4, Page(s) 599–602

Abstract: Background: Bruch's membrane opening area is the circular area around the disc of Bruch's membrane, which is devoid of Bruch's membrane and can be assessed by capturing the retinal imaging system by Spectral-domain optical coherence tomography. BMOA can ...

Abstract	Background: Bruch's membrane opening area is the circular area around the disc of Bruch's membrane, which is devoid of Bruch's membrane and can be assessed by capturing the retinal imaging system by Spectral-domain optical coherence tomography. BMOA can be a new landmark in analyzing the glaucomatous optic nerve head, myopic optic disc, optic neuropathy and uveitic disc edema. This is the first study from South Asia to evaluate the normal Bruch's membrane opening area among Nepalese eyes. Methods: This hospital-based, cross-sectional, quantitative, observational study cross-sectional study was conducted in a tertiary eye care hospital in Nepal. Healthy immunocompetent Nepalese participants of both genders and different age groups were enrolled. The mean average Bruch's membrane opening area of each eyes, the difference in Bruch's membrane opening area between the two eyes and the gender of varying age groups were analyzed. Results: Around 162 eyes (81 participants) were analyzed. The mean age was 56.69±17.5years. The mean average Bruch's membrane opening area of the right and left eye was 2.53±0.58 mm2 and 2.50 ±0.58 mm2. There was no significant difference in the Bruch's membrane opening area in either eye in both genders of any age group. Conclusion: The Bruch's membrane opening area does not differ significantly according to the laterality, gender and age group in Nepalese eyes.
MeSH term(s)	Adult ; Aged ; Female ; Humans ; Male ; Middle Aged ; Bruch Membrane/diagnostic imaging ; Cross-Sectional Studies ; Functional Laterality ; Nepal ; South Asian People
Language	English
Publishing date	2024-03-31
Publishing country	Nepal
Document type	Observational Study ; Journal Article
ZDB-ID	2551251-1
ISSN	1999-6217 ; 1999-6217
ISSN (online)	1999-6217
ISSN	1999-6217
DOI	10.33314/jnhrc.v21i4.4839
Database	MEDical Literature Analysis and Retrieval System OnLINE

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Article ; Online: Impact of Underlying Congestive Heart Failure on In-Hospital Outcomes in Patients with Septic Shock.

Vindhyal, Mohinder R / Lu, Liuqiang Kelsey / Ranka, Sagar / Acharya, Prakash / Shah, Zubair / Gupta, Kamal

Journal of intensive care medicine

2021 Volume 37, Issue 7, Page(s) 965–969

Abstract: Purpose: ...

Abstract	Purpose:
MeSH term(s)	Cross-Sectional Studies ; Heart Failure/complications ; Hospitals ; Humans ; Retrospective Studies ; Shock, Septic/complications
Language	English
Publishing date	2021-11-23
Publishing country	United States
Document type	Journal Article
ZDB-ID	632828-3
ISSN	1525-1489 ; 0885-0666
ISSN (online)	1525-1489
ISSN	0885-0666
DOI	10.1177/08850666211061472
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Article ; Online: Post-traumatic suprachoroidal dislocation of crystalline lens and its management.

Shanmugam, Mahesh P / Shah, Payal / Rajesh, R / Mishra, Divyansh K / Sagar, Pradeep / Sheemar, Abhishek

Indian journal of ophthalmology

2019 Volume 67, Issue 9, Page(s) 1469–1470

MeSH term(s)	Adult ; Eye Injuries/complications ; Eye Injuries/diagnosis ; Humans ; Lens Subluxation/diagnosis ; Lens Subluxation/etiology ; Lens Subluxation/surgery ; Lens, Crystalline/diagnostic imaging ; Lens, Crystalline/injuries ; Male ; Ultrasonography ; Vitrectomy/methods ; Vitreous Hemorrhage/diagnosis ; Vitreous Hemorrhage/etiology ; Vitreous Hemorrhage/surgery
Language	English
Publishing date	2019-08-21
Publishing country	India
Document type	Case Reports ; Journal Article ; Video-Audio Media
ZDB-ID	187392-1
ISSN	1998-3689 ; 0301-4738
ISSN (online)	1998-3689
ISSN	0301-4738
DOI	10.4103/ijo.IJO_1656_18
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Article: In silico studies on therapeutic agents for COVID-19: Drug repurposing approach

Shah, Bhumi / Modi, Palmi / Sagar, Sneha R

Life Sci

Abstract: AIMS: The severe acute respiratory syndrome coronavirus 2, better known as COVID-19 has become the current health concern to the entire world. Initially appeared in Wuhan, China around December 2019, it had spread to almost 187 countries due to its high ... ...

Abstract	AIMS: The severe acute respiratory syndrome coronavirus 2, better known as COVID-19 has become the current health concern to the entire world. Initially appeared in Wuhan, China around December 2019, it had spread to almost 187 countries due to its high contagious nature. Precautionary measures remain the sole obliging tactic to cease the person to person transmissions till any effective method of treatment or vaccine is developed. Amidst the pandemic, research and development of new molecule is labour-intensive and tedious process. Drug repurposing is the concept of identifying therapeutically potent molecule from the library of pre-existing molecules. MATERIALS AND METHODS: In the present study, 61 molecules that are already being used in clinics or under clinical scrutiny as antiviral agents are surveyed via docking study. Docking study was performed using Maestro interface (Schrödinger Suite, LLC, NY). KEY FINDINGS: Out of these 61 molecules, 37 molecules were found to interact with >2 protein structures of COVID-19. The docking results indicate that amongst the reported molecules, HIV protease inhibitors and RNA-dependent RNA polymerase inhibitors showed promising features of binding to COVID-19 enzyme. Along with these, Methisazone an inhibitor of protein synthesis, CGP42112A an angiotensin AT2 receptor agonist and ABT450 an inhibitor of the non-structural protein 3-4A might become convenient treatment option as well against COVID-19. SIGNIFICANCE: The drug repurposing approach provide an insight about the therapeutics that might be helpful in treating corona virus disease.
Keywords	covid19
Publisher	WHO
Document type	Article
Note	WHO #Covidence: #46308
Database	COVID19

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Article: In silico studies on therapeutic agents for COVID-19: Drug repurposing approach

Shah, Bhumi / Modi, Palmi / Sagar, Sneha R

Life sciences. 2020 July 01, v. 252

2020

Abstract: The severe acute respiratory syndrome coronavirus 2, better known as COVID-19 has become the current health concern to the entire world. Initially appeared in Wuhan, China around December 2019, it had spread to almost 187 countries due to its high ... ...

Abstract	The severe acute respiratory syndrome coronavirus 2, better known as COVID-19 has become the current health concern to the entire world. Initially appeared in Wuhan, China around December 2019, it had spread to almost 187 countries due to its high contagious nature. Precautionary measures remain the sole obliging tactic to cease the person to person transmissions till any effective method of treatment or vaccine is developed. Amidst the pandemic, research and development of new molecule is labour-intensive and tedious process. Drug repurposing is the concept of identifying therapeutically potent molecule from the library of pre-existing molecules.In the present study, 61 molecules that are already being used in clinics or under clinical scrutiny as antiviral agents are surveyed via docking study. Docking study was performed using Maestro interface (Schrödinger Suite, LLC, NY).Out of these 61 molecules, 37 molecules were found to interact with >2 protein structures of COVID-19. The docking results indicate that amongst the reported molecules, HIV protease inhibitors and RNA-dependent RNA polymerase inhibitors showed promising features of binding to COVID-19 enzyme. Along with these, Methisazone an inhibitor of protein synthesis, CGP42112A an angiotensin AT2 receptor agonist and ABT450 an inhibitor of the non-structural protein 3-4A might become convenient treatment option as well against COVID-19.The drug repurposing approach provide an insight about the therapeutics that might be helpful in treating corona virus disease.
Keywords	Coronavirus infections ; Human immunodeficiency virus ; RNA-directed RNA polymerase ; Severe acute respiratory syndrome coronavirus ; agonists ; antiviral agents ; computer simulation ; pandemic ; protein structure ; protein synthesis ; proteinase inhibitors ; research and development ; therapeutics ; vaccines ; viral nonstructural proteins ; viruses ; China ; covid19
Language	English
Dates of publication	2020-0701
Publishing place	Elsevier Inc.
Document type	Article
ZDB-ID	3378-9
ISSN	1879-0631 ; 0024-3205
ISSN (online)	1879-0631
ISSN	0024-3205
DOI	10.1016/j.lfs.2020.117652
Database	NAL-Catalogue (AGRICOLA)

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Article ; Online: Advances in Brain Cancer: Creating Monoallelic Single Point Mutation in IDH1 by Single Base Editing.

Shah, Sagar R / Quinones-Hinojosa, Alfredo / Xia, Shuli

Journal of oncology research and therapy

2018 Volume 5, Issue 5

Abstract: Mutations in the Isocitrate Dehydrogenase 1 (IDH1) gene occur in 70% of grade II and grade III gliomas, 10% of acute myeloid leukemia, as well as cholangiocarcinomas, melanomas, and chondrosarcomas. Numerous mechanisms have been proposed to illustrate ... ...

Abstract	Mutations in the Isocitrate Dehydrogenase 1 (IDH1) gene occur in 70% of grade II and grade III gliomas, 10% of acute myeloid leukemia, as well as cholangiocarcinomas, melanomas, and chondrosarcomas. Numerous mechanisms have been proposed to illustrate the biological function of mutant IDH1. Most functional studies of mutant IDH1 have been conducted in exogenous overexpression systems with the IDH1 wild type background. This mini-review comments on recent publication by Wei et al, in which a highly efficient "single base editing" approach was employed to generate monoallelic IDH1 R132H mutation without the induction of a double strand break in the IDH1 gene.
Language	English
Publishing date	2018-10-03
Publishing country	United States
Document type	Journal Article
ISSN	2574-710X
ISSN (online)	2574-710X
Database	MEDical Literature Analysis and Retrieval System OnLINE

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