Design, Synthesis and Pharmacological Evalution of 1,3,4-Oxadiazole Derivatives as Collapsin Response Mediator Protein 1 (CRMP 1) Inhibitors

Panchal, Ishan I.; Rajput, Roshani; Patel, Ashish

doi:10.2174/1570163815666181106090708

Cited by 4 publications

(3 citation statements)

References 18 publications

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“…Using the SWISSADME program 26,27 , and in silico toxicity profile of the designed compounds was carried out to assess the theoretical pharmacokinetic parameters of the ligands to predict the drug-likeness of ligands. Drug development involves assessing absorption, distribution, metabolism and excretion (ADME) increasingly earlier in the discovery process, at a stage when considered compounds are numerous but access to the physical samples is limited.…”

Section: In Silico Analysismentioning

confidence: 99%

In silico analysis, synthesis and biological evaluation of DHFR inhibitors

Chaitali¹,

Panchal²,

Patel³

et al. 2021

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Introduction: Malaria is one of the varieties of fatal diseases caused by a protozoan parasite that is now considered to be the greatest global health challenge. A parasite of Plasmodium species triggers it transmitting the disease to humans by the bites of female Anopheles mosquitoes. Aim: To screen out designed molecules by molecular docking analysis and assess their pharmacokinetic properties using SwissADME. To synthesize the designed compounds. To characterize the synthesized compounds by TLC, melting point, IR spectroscopy, mass spectrometry, 1H NMR, and 13C NMR. To evaluate the synthesized compounds for antimalarial activity. Materials and methods: In silico analysis was performed with SWISSADME, and molecular docking was performed by AutoDock Vina version 4.2. In vitro antimalarial activity study was performed. Results: In-vitro studies of synthesized molecules showed that compounds C2 (IC50 1.23), C6 (IC50 0.48), C10 (IC50 0.79), and C14 (IC50 0.19) possess good antimalarial activity. Conclusions: 7-chloroquinoline-piperazine derivatives exhibited potential antimalarial compounds for pf-DHFR inhibitors.

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Section: In Silico Analysismentioning

confidence: 99%

In silico analysis, synthesis and biological evaluation of DHFR inhibitors

Chaitali¹,

Panchal²,

Patel³

et al. 2021

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“…Densitas (146)(147)(148)(149) 2,61 g/cm 3(150) Titik didih (151)(152)(153)(154) Titik leleh (155)(156)(157)(158) 1.085 °C; 1.985 °F; 1.358 K (dekomposisi) 652 °C; 1.206 °F; 925 K Kelarutan dalam air (159-161) Dalam pelarut lain 0,79 gr/100 mL (20 °C) 1,30 gr/100 mL (80 °C) Larut dalam asam nitrat Tidak larut dalam etanol Struktur kristal (123,162,163) Ortorombik…”

Section: Sifat Kimiaunclassified

SILVER SULFATE (Ag2SO4): MOLECULAR ANALYSIS AND ION TRANSPORT

Yurmaniati¹,

Zainul²

2018

Preprint

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Abstrak Perak sulfat merupakan garam anorganik dengan rumus Ag2SO4. Perak sulfat ini termasuk dalam senyawa ionic karena terdapat ikatan antara logam perak dengan spesi non logam sulfat. Perak sulfat memiliki. berat molekul yaitu 311,799 gr/mol dengan tampilan kristal tidak berwarna dan tidak mudah terbakar. Senyawa ini digunakan dalam penyepuhan perak (silver plating) dan pengganti tanpa noda untuk perak nitrat. Perak Sulfat mengalami interaksi molekul dalam pelarut Air. Tujuan penelitian ini adalah untuk mengetahui karakteristik molekul dan transpor ion Perak Sulfat. Metode yang digunakan dalam penelitian ini adalah penelusuran literatur dengan Endnote X7, pemodelan komputasi, dan perhitungan matematis. Data transpor ion Perak Sulfat yaitu dengan parameter konduktivitas, viskositas, mobilitas ion, dan daya hanyut menggunakan data hasil review beberapa jurnal penelitian yang berkaitan dengan Perak Sulfat sesuai tahapan pada fishbone. Secara termokimia, perak sulfat memiliki entalpi pembentukan standar, ΔfHo 298 -715 kJ/mol dan entropi molar standar, So298 16,74 kJ/mol. Kelarutan Perak Sulfat dalam air yaitu 0,79 gr/100 mL (20 o C) dan dapat larut juga dalam pelarut asam nitrat. Hasil penelitian konduktivitas larutan Ag2SO4 semakin meningkat seiring dengan kenaikan konsentrasi persen massa sesuai grafik hasil perhitungan. Energi optimasi MM2 Minimization, Optimasi MM2 Dynamics, dan Optimasi MM2 Properties berturut-turut yaitu 210. 2194 kcal/mol, 755. 377 kcal/mol, 216. 774 kcal/mol. Kecepatan hanyut molekul perak sulfat dengan potensial Ag2SO4 3,61 V dan jarak antara elektroda 1,5 cm yaitu 2, 407 V/cm. Kata kunci : Perak Sulfat, Interaksi molekul, Pemodelan I. IntroductionPerak sulfat (11)(12)(13)(14)(15)(16)(17)(18)(19)(20)(21)(22) merupakan senyawa ion dari perak dengan rumus Ag2SO4, yang digunakan dalam penyepuhan perak (silver plating) dan pengganti tanpa noda untuk perak nitrat. Garam sulfat ini stabil di bawah kondisi penggunaan dan penyimpanan biasa, meskipun ia menjadi gelap pada pajanan terhadap udara atau cahaya. Perak Sulfat (11)(12)(13)(14)(15)(16)(17)(18)(19)(20)(21)(22) mengalami interaksi molekul dalam pelarut Air. Berat molekul senyawa ini yaitu 311,799 gr/mol dengan tampilan kristal tidak berwarna. Kelarutannya dalam air 0,79 gr/100 mL (20 o C) dan dapat larut juga dalam pelarut asam nitrat. Secara termokimia, perak sulfat (11)(12)(13)(14)(15)(16)(17)(18)(19)(20)(21)(22) memiliki entalpi pembentukan standar, ΔfHo298 -715 kJ/mol dan entropi molar standar, So298 16,74 kJ/mol. Perak sulfat (11)(12)(13)(14)(15)(16)(17)(18)(19)(20)(21)(22) tidak mudah terbakar.Perak Sulfat (Ag2SO4) (11)(12)(13)(14)(15)(16)(17)(18)(19)(20)(21)(22) memiliki konduktivitas (1)(2)(3)(4)(5)(6)(7)(8)(9)(10) . Besarnya nilai konduktivitas (1-10) ditentukan oleh konsentrasi elektrolit. Muatan dalam senyawa dapat dibawa dalam bentuk electron seperti logam atau biasanya digunakan ion positif dan ion negative seperti dalam larutan elektrolit dan leburan garam. Aliran listrik dapat ditemukan dalam suatu larutan karena terdapat di ...

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“…According to the National Cancer Registry Programme of the India Council of Medical Research, more than 1300 Indians die every day due to cancer. 3 One of every two women newly diagnosed with carcinoma dies of cervical cancer every eight minutes in the Asian nation. 4,5 Consequently, there is an exigent need to explore some newer classes of therapeutics with selective action against cancer cells.…”

Section: Introductionmentioning

confidence: 99%

Recent Advances in the Development of PI3K/mTOR-Based Anticancer Agents: A Mini Review

Panchal

Navale

Shah

et al. 2021

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Cancer refers to the group of diseases characterized by uncontrolled growth of abnormal cells. It spreads throughout the body which makes this disease one of the huge global threats to mankind. Intensive research over the years has established deregulation of mam-malian target of rapamycin pathway in cancer. This has led to the development of mammalian target of rapamycin inhibitors. Several inhibitors of the mammalian target of rapamycin are under preclinical and early clinical trials. Researchers have investigated a series of furoquinoline, phenyl sulphonylureas, 4-acrylamido-quinoline, pyrazolochalcones, imidazole [4,5-b] pyridine, thienopyrimidine, aminopyrimidin scaffolds in the last three years. This review provides comprehensive information and critical discussions on designing of novel selective inhibitors of mammalian target of rapamycin with superior activity in the treatment of cancer. 

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Design, Synthesis and Pharmacological Evalution of 1,3,4-Oxadiazole Derivatives as Collapsin Response Mediator Protein 1 (CRMP 1) Inhibitors

Cited by 4 publications

References 18 publications

In silico analysis, synthesis and biological evaluation of DHFR inhibitors

In silico analysis, synthesis and biological evaluation of DHFR inhibitors

SILVER SULFATE (Ag2SO4): MOLECULAR ANALYSIS AND ION TRANSPORT

Recent Advances in the Development of PI3K/mTOR-Based Anticancer Agents: A Mini Review

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