In silico binding analysis and SAR elucidations of newly designed benzopyrazine analogs as potent inhibitors of thymidine phosphorylase

QR Code

In silico binding analysis and SAR elucidations of newly designed benzopyrazine analogs as potent inhibitors of thymidine phosphorylase

Thymidine phosphorylase (TP) is up regulated in wide variety of solid tumors and therefore presents a remarkable target for drug discovery in cancer. A novel class of extremely potent TPase inhibitors based on benzopyrazine (1–28) has been developed and evaluated against thymidine phosphorylase enzy...

Full description

Bibliographic Details
Published in:	Bioorganic Chemistry
Main Author:	Taha M.; Ismail N.H.; Imran S.; Rahim F.; Wadood A.; Al Muqarrabun L.M.R.; Khan K.M.; Ghufran M.; Ali M.
Format:	Article
Language:	English
Published:	Academic Press Inc. 2016
Online Access:	https://www.scopus.com/inward/record.uri?eid=2-s2.0-84979619091&doi=10.1016%2fj.bioorg.2016.07.010&partnerID=40&md5=40ed2677dc1df64b71178e6fc7babcd0

Similar Items

Synthesis, SAR elucidations and molecular docking study of newly designed isatin based oxadiazole analogs as potent inhibitors of thymidine phosphorylase
by: Javid M.T.; Rahim F.; Taha M.; Nawaz M.; Wadood A.; Ali M.; Mosaddik A.; Shah S.A.A.; Farooq R.K.
Published: (2018)

Synthesis of new isoquinoline-base-oxadiazole derivatives as potent inhibitors of thymidine phosphorylase and molecular docking study
by: Zaman K.; Rahim F.; Taha M.; Wadood A.; Shah S.A.A.; Ahmed Q.U.; Zakaria Z.A.
Published: (2019)

Synthesis, thymidine phosphorylase, angiogenic inhibition and molecular docking study of isoquinoline derivatives
by: Zaman K.; Rahim F.; Taha M.; Wadood A.; Adnan Ali Shah S.; Gollapalli M.; Ullah F.; Ahmed A.
Published: (2019)

Synthesis, molecular docking study and in vitro thymidine phosphorylase inhibitory potential of oxadiazole derivatives
by: Ullah H.; Rahim F.; Taha M.; Uddin I.; Wadood A.; Shah S.A.A.; Farooq R.K.; Nawaz M.; Wahab Z.; Khan K.M.
Published: (2018)

Rational design of bis-indolylmethane-oxadiazole hybrids as inhibitors of thymidine phosphorylase
by: Taha M.; Rashid U.; Imran S.; Ali M.
Published: (2018)

Synthesis of thymidine phosphorylase inhibitor based on quinoxaline derivatives and their molecular docking study
by: Almandil N.B.; Taha M.; Farooq R.K.; Alhibshi A.; Ibrahim M.; Anouar E.H.; Gollapalli M.; Rahim F.; Nawaz M.; Shah S.A.A.; Ahmed Q.U.; Zakaria Z.A.
Published: (2019)

Synthesis, molecular docking study and thymidine phosphorylase inhibitory activity of 3-formylcoumarin derivatives
by: Taha M.; Adnan Ali Shah S.; Afifi M.; Imran S.; Sultan S.; Rahim F.; Hadiani Ismail N.; Mohammed Khan K.
Published: (2018)

Novel quinoline derivatives as potent in vitro α-glucosidase inhibitors: In silico studies and SAR predictions
by: Taha M.; Ismail N.H.; Imran S.; Wadood A.; Rahim F.; Ali M.; Rehman A.U.
Published: (2015)

Synthesis of new 1,2-disubstituted benzimidazole analogs as potent inhibitors of β-Glucuronidase and in silico study
by: Taha M.; Ahmad Khan A.; Rahim F.; Imran S.; Salahuddin M.; Uddin N.; Mohammed Khan K.; Adnan Ali Shah S.; Zafar A.; Amiruddin Zakaria Z.
Published: (2022)

Synthesis of 4-thiazolidinone analogs as potent in vitro anti-urease agents
by: Rahim F.; Zaman K.; Ullah H.; Taha M.; Wadood A.; Javed M.T.; Rehman W.; Ashraf M.; Uddin R.; Uddin I.; Asghar H.; Khan A.A.; Khan K.M.
Published: (2015)

Synthesis of Bis-indolylmethane sulfonohydrazides derivatives as potent α-Glucosidase inhibitors
by: Gollapalli M.; Taha M.; Ullah H.; Nawaz M.; AlMuqarrabun L.M.R.; Rahim F.; Qureshi F.; Mosaddik A.; Ahmat N.; Khan K.M.
Published: (2018)

Synthesis, in vitro thymidine phosphorylase inhibitory activity and molecular docking study of novel pyridine-derived bis-oxadiazole bearing bis-schiff base derivatives
by: Hussain R.; Rehman W.; Rahim F.; Khan S.; Alanazi A.S.; Alanazi M.M.; Rasheed L.; Khan Y.; Adnan. Ali. Shah S.; Taha M.
Published: (2023)

Synthesis of indole analogs as potent β-glucuronidase inhibitors
by: Baharudin M.S.; Taha M.; Imran S.; Ismail N.H.; Rahim F.; Javid M.T.; Khan K.M.; Ali M.
Published: (2017)

Synthesis, in vitro antiurease, in vivo antinematodal activity of quinoline analogs and their in-silico study
by: Zaman K.; Rahim F.; Taha M.; Sajid M.; Hayat S.; Nawaz M.; Salahuddin M.; Iqbal N.; Khan N.U.; Shah S.A.A.; Farooq R.K.; Bahadar A.; Wadood A.; Khan K.M.
Published: (2021)

Novel thiosemicarbazide-oxadiazole hybrids as unprecedented inhibitors of yeast α-glucosidase and in silico binding analysis
by: Taha M.; Ismail N.H.; Imran S.; Wadood A.; Ali M.; Rahim F.; Khan A.A.; Riaz M.
Published: (2016)

Triazinoindole analogs as potent inhibitors of α-glucosidase: Synthesis, biological evaluation and molecular docking studies
by: Rahim F.; Ullah K.; Ullah H.; Wadood A.; Taha M.; Rehman A.U.; Uddin I.; Ashraf M.; Shaukat A.; Rehman W.; Hussain S.; Khan K.M.
Published: (2015)

New benzoxazole-based sulphonamide hybrids analogs as potent inhibitors of α-amylase and α-glucosidase: Synthesis and in vitro evaluation along with in silico study
by: Khan S.; Rahim F.; Rehman W.; Nawaz M.; Taha M.; Fazil S.; Hussain R.; Adnan Ali Shah S.; Abdellatif M.H.
Published: (2022)

In Silico Elucidation of Protein-Protein Interaction Network in Fish Pathogen Flavobacterium columnare
by: Nematiasgarabad P.; Hashim N.A.N.; Yahya M.F.Z.R.
Published: (2024)

Molecular hybridization conceded exceptionally potent quinolinyl-oxadiazole hybrids through phenyl linked thiosemicarbazide antileishmanial scaffolds: In silico validation and SAR studies
by: Taha M.; Ismail N.H.; Ali M.; Rashid U.; Imran S.; Uddin N.; Khan K.M.
Published: (2017)

In Silico Elucidation of Protein-Protein Interaction Network in Fish Pathogen Flavobacterium columnare
by: Nematiasgarabad, et al.
Published: (2024)

Evaluation of bisindole as potent β-glucuronidase inhibitors: Synthesis and in silico based studies
by: Khan K.M.; Rahim F.; Wadood A.; Taha M.; Khan M.; Naureen S.; Ambreen N.; Hussain S.; Perveen S.; Choudhary M.I.
Published: (2014)

Synthesis of chromen-4-one-oxadiazole substituted analogs as potent β-glucuronidase inhibitors
by: Taha M.; Rahim F.; Ali M.; Khan M.N.; Alqahtani M.A.; Bamarouf Y.A.; Gollapalli M.; Farooq R.K.; Ali Shah S.A.; Ahmed Q.U.; Zakaria Z.A.
Published: (2019)

In silico selection of aptamers against SARS-CoV-2
by: Akmal Shukri A.M.; Wang S.M.; Feng C.; Chia S.L.; Mohd Nawi S.F.A.; Citartan M.
Published: (2024)

Synthesis of novel disulfide and sulfone hybrid scaffolds as potent β-glucuronidase inhibitor
by: Taha M.; Ismail N.H.; Imran S.; Wadood A.; Rahim F.; Al Muqarrabin L.M.R.; Zaki H.M.; Ahmat N.; Nasir A.; Khan F.
Published: (2016)

In silico selection of aptamers against SARS-CoV-2
by: Akmal Shukri, et al.
Published: (2024)

The β-carboline analogs as a potent inhibitor for Alzheimer's Disease, molecular docking and dynamics simulation study
by: Taha M.; Rahim F.; Khan A.A.; Adalat B.; Imran S.; Alshehri J.M.; Ahmad A.; Khan K.M.; Shah S.A.A.; Uddin N.
Published: (2023)

Evaluation of 2-indolcarbohydrazones as potent α-glucosidase inhibitors, in silico studies and DFT based stereochemical predictions
by: Taha M.; Ismail N.H.; Javaid K.; Imran S.; Anouar E.H.; Wadood A.; Atia-Tul-Wahab; Ali M.; Khan K.M.; Saad S.M.; Rahim F.; Choudhary M.I.
Published: (2015)

New biologically dynamic hybrid pharmacophore triazinoindole-based-thiadiazole as potent α-glucosidase inhibitors: In vitro and in silico study
by: Khan A.A.; Rahim F.; Taha M.; Rehman W.; Iqbal N.; Wadood A.; Ahmad N.; Shah S.A.A.; Ghoneim M.M.; Alshehri S.; Salahuddin M.; Khan K.M.
Published: (2022)

Income management of newly married couple: Case of the urban Malay community
by: Joremi L.; Satar N.M.; Zakaria R.H.
Published: (2019)

Synthesis, in vitro β-glucuronidase inhibitory activity and in silico studies of novel (E)-4-Aryl-2-(2-(pyren-1-ylmethylene)hydrazinyl)thiazoles
by: Salar U.; Khan K.M.; Syed S.; Taha M.; Ali F.; Ismail N.H.; Perveen S.; Wadood A.; Ghufran M.
Published: (2017)

HIGHER BINDING AFFINITIES OF HOPEA PHYTOCOMPOUNDS TO THE SARS-COV-2 MAIN PROTEASE THAN KNOWN ANTIVIRALS: MOLECULAR DOCKING AND DYNAMIC SIMULATION STUDY
by: Rozani N.H.A.; Jusoh S.A.; Majid F.A.A.; Mokhtar N.A.; Khairudin N.B.A.; Tap F.M.
Published: (2024)

Repurposing Mitragynine as Anti-SARS-CoV-2 Agent Evidenced by In Silico Predictive Approach
by: Tap F.M.; Zakaria N.H.; Majid F.A.A.; Huq A.K.M.M.; Jamal J.A.
Published: (2022)

Identification of bisindolylmethane-hydrazone hybrids as novel inhibitors of β-glucuronidase, DFT, and in silico SAR intimations
by: Taha M.; Ismail N.H.; Imran S.; Anouar E.H.; Ali M.; Jamil W.; Uddin N.; Kashif S.M.
Published: (2016)

Oxindole based oxadiazole hybrid analogs: Novel α-glucosidase inhibitors
by: Taha M.; Imran S.; Rahim F.; Wadood A.; Khan K.M.
Published: (2018)

Invasion characteristics of a Plasmodium knowlesi line newly isolated from a human
by: Amir A.; Russell B.; Liew J.W.K.; Moon R.W.; Fong M.Y.; Vythilingam I.; Subramaniam V.; Snounou G.; Lau Y.L.
Published: (2016)

Biology-oriented drug synthesis (BIODS): In vitro β-glucuronidase inhibitory and in silico studies on 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl aryl carboxylate derivatives
by: Salar U.; Khan K.M.; Taha M.; Ismail N.H.; Ali B.; Qurat-ul-Ain; Perveen S.; Ghufran M.; Wadood A.
Published: (2017)

Hybrid benzothiazole analogs as antiurease agent: Synthesis and molecular docking studies
by: Taha M.; Ismail N.H.; Imran S.; Wadood A.; Rahim F.; Khan K.M.; Riaz M.
Published: (2016)

Synthesis of modified 1,3,4-thiadiazole incorporating substituted thiosemicarbazide derivatives: Elucidating the in vitro and in silico studies to develop promising anti-diabetic agent
by: Abbasi S.A.; Rahim F.; Hussain R.; Khan S.; Ullah H.; Iqbal T.; Iqbal N.; Khan H.U.; Khan S.; Iqbal R.; Shah S.A.A.; Al Obaid S.; Ansari M.J.
Published: (2024)

Synthesis of bis-indolylmethanes as new potential inhibitors of β-glucuronidase and their molecular docking studies
by: Taha M.; Ullah H.; Al Muqarrabun L.M.R.; Khan M.N.; Rahim F.; Ahmat N.; Ali M.; Perveen S.
Published: (2018)

Novel indole based hybrid oxadiazole scaffolds with: N -(substituted-phenyl)butanamides: Synthesis, lineweaver-burk plot evaluation and binding analysis of potent urease inhibitors
by: Nazir M.; Abbasi M.A.; Aziz-Ur-Rehman; Siddiqui S.Z.; Raza H.; Hassan M.; Ali Shah S.A.; Shahid M.; Seo S.-Y.
Published: (2018)