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Showing 1 to 12 of 28 entries
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Abnormal Haemoglobin in a Psqriatic Family.

Indian journal of dermatology, venereology and leprology

Kate SL, Paadke MA, Mokashi GD, Khendkar VA, Sainani GS, Gokhalay BB.
PMID: 28266459
Indian J Dermatol Venereol Leprol. 1978 May-Jun;44(3):160-161.

A Sindhi family with psoriasis and abnormal haemoglobin Hb D in some of the members of the family isreported. The significance of this finding as an added genetic marker of psoriasis is discussed.

Intracranial nonvestibular neurinomas: Young neurosurgeons' experience.

Journal of neurosciences in rural practice

Chowdhury FH, Haque MR, Kawsar KA, Sarker MH, Hasan M, Goel AH.
PMID: 25002761
J Neurosci Rural Pract. 2014 Jul;5(3):231-43. doi: 10.4103/0976-3147.133566.

BACKGROUND AND OBJECTIVES: Neurinoma arising from other than nonvestibular cranial nerves is less prevalent. Here we present our experiences regarding the clinical profile, investigations, microneurosurgical management, and the outcome of nonvestibular cranial nerve neurinomas.MATERIALS AND METHODS: From January 2005...

Stationary Points on the PES of N-Methoxy Peptides and Their Boron Isosteres:  An Ab Initio Study.

Journal of chemical theory and computation

Malde AK, Khedkar SA, Coutinho EC.
PMID: 26627037
J Chem Theory Comput. 2006 Nov;2(6):1664-74. doi: 10.1021/ct600192g.

The conformational space of N-methoxy-N-methylacetamide [CH3-CO-N(OCH3)CH3, NMA-NOM] and its boron isostere [CH3-CO-B(OCH3)CH3, BMA-BOM] has been studied at the HF, B3LYP, and MP2 levels of theory with the 6-31+G* basis set. The minima, saddle points, and rotation barriers on the...

Modern multireference methods and their application in transition metal chemistry.

Physical chemistry chemical physics : PCCP

Khedkar A, Roemelt M.
PMID: 34355719
Phys Chem Chem Phys. 2021 Aug 28;23(32):17097-17112. doi: 10.1039/d1cp02640b. Epub 2021 Aug 06.

Transition metal chemistry is a challenging playground for quantum chemical methods owing to the simultaneous presence of static and dynamic electron correlation effects in many systems. Wavefunction based multireference (MR) methods constitute a physically sound and systematically improvable Ansatz...

In silico molecular docking studies of oxadiazole and pyrimidine bearing heterocyclic compounds as potential antimicrobial agents.

Archiv der Pharmazie

Desai NC, Vaghani HV, Jethawa AM, Khedkar VM.
PMID: 34169569
Arch Pharm (Weinheim). 2021 Oct;354(10):e2100134. doi: 10.1002/ardp.202100134. Epub 2021 Jun 24.

Microbial resistance is a major problem faced by the scientific community. It has created an urgent need to develop antimicrobial agents with novel structures and mechanisms of action. With this aim, a series of novel 1,3,4-oxadiazoles bearing 3,4-dihydropyrimidine heterocyclic...

Synthesis of Novel Hydrazones of Levofloxacin Related Molecule and their In Vitro Evaluation as Antioxidant, and Molecular Docking Studies.

Combinatorial chemistry & high throughput screening

Kashid BB, Kilbile JT, Wani KD, Pawar SM, Khedkar VM, Ghanwat AA.
PMID: 33372867
Comb Chem High Throughput Screen. 2022;25(2):274-283. doi: 10.2174/1386207323666201229150734.

OBJECTIVE: The research work aims to synthesize novel series of hydrazones and antioxidant screening. It also aims to evaluate the binding affinities and in silico methods for identifying possible drug targets of synthesized compounds.METHODS: This report briefly explains the...

In vitro and ex vivo antitubercular activity of diarylheptanoids from the rhizomes of Alpinia officinarum Hance.

Natural product research

Honmore VS, Rojatkar SR, Nawale LU, Arkile MA, Khedkar VM, Natu AD, Sarkar D.
PMID: 26927613
Nat Prod Res. 2016 Dec;30(24):2825-2830. doi: 10.1080/14786419.2016.1149702. Epub 2016 Mar 01.

Phytochemical investigation of methanol extract of the rhizomes of Alpinia officinarum Hance afforded four known diarylheptanoids 1,7-diphenylhept-4-en-3-one (1), 5-hydroxy-1,7-diphenyl-3-heptanone (2), 5-hydroxy-7-(4″-hydroxy-3″-methoxyphenyl)-1-phenyl-3-heptanone (3), and 7-(4″-hydroxy-3″-methoxyphenyl)-1-phenyl heptan-3-one (4).The acetate derivative of (4), 7-(4″-actetate-3″-methoxy phenyl)-1-phenyl heptan-3-one (5), was prepared. These diarylheptanoids exhibited...

Enhanced Biobutanol Production in Folic Acid-Induced Medium by Using .

ACS omega

Nimbalkar PR, Khedkar MA, Chavan PV, Bankar SB.
PMID: 31460424
ACS Omega. 2019 Jul 31;4(7):12978-12982. doi: 10.1021/acsomega.9b00583. eCollection 2019 Jul 31.

The conventional acetone-butanol-ethanol fermentation process suffers from several key hurdles viz. low solvent titer, insufficient yield and productivity, and solvent intolerance which largely affect butanol commercialization. To counteract these issues, the effect of stimulator, namely, folic acid was investigated...

Synthesis of Novel Hydrazones of Levofloxacin related molecule and their In Vitro evaluation as antioxidant, and Molecular Docking Studies.

Combinatorial chemistry & high throughput screening

Kashid BB, Kilbile JT, Wani KD, Pawar SM, Khedkar VM, Ghanwat AA.
PMID: 33372867
Comb Chem High Throughput Screen. 2020 Dec 29; doi: 10.2174/1386207323666201229150734. Epub 2020 Dec 29.

OBJECTIVE: The research work aims synthesis of novel series of hydrazones, antioxidant screening, evaluate the binding affinities, and in silico methods for the identification of possible drug targets of synthesized compounds.METHODS: This report briefly explains the synthesis of novel...

New 1,2,3-Triazole-Appended Bis-pyrazoles: Synthesis, Bioevaluation, and Molecular Docking.

ACS omega

Danne AB, Deshpande MV, Sangshetti JN, Khedkar VM, Shingate BB.
PMID: 34604669
ACS Omega. 2021 Sep 13;6(38):24879-24890. doi: 10.1021/acsomega.1c03734. eCollection 2021 Sep 28.

The present work describes design of a small library of new 1,2,3-triazole-appended bis-pyrazoles by using a molecular hybridization approach, and the synthesized hybrids were evaluated for their antifungal activity against different fungal strains, namely,

Synthesis and Antitubercular Activity of New Benzo[b]thiophenes.

ACS medicinal chemistry letters

Mahajan PS, Nikam MD, Nawale LU, Khedkar VM, Sarkar D, Gill CH.
PMID: 27563398
ACS Med Chem Lett. 2016 Jun 28;7(8):751-6. doi: 10.1021/acsmedchemlett.6b00077. eCollection 2016 Aug 11.

In vitro and ex vivo efficacies of four series of benzo[b]thiophene-2-carboxylic acid derivatives were studied against Mycobacterium tuberculosis H37Ra (MTB). Benzo[b]thiophenes were also tested in vitro against multidrug resistant Mycobacterium tuberculosis H37Ra (MDR-MTB), and 7b was found to be...

The ω, φ, and ψ Space of N-Hydroxy-N-methylacetamide and N-Acetyl-N '-hydroxy-N '-methylamide of Alanine and Their Boron Isosteres.

Journal of chemical theory and computation

Malde AK, Khedkar SA, Coutinho EC.
PMID: 26626520
J Chem Theory Comput. 2006 Mar;2(2):312-21. doi: 10.1021/ct050242v.

The conformational space of N-hydroxy-N-methylacetamide [CH3-CO-N(OH)CH3, NMAOH] and its boron isostere [CH3-CO-B(OH)CH3, BMAOH] has been studied by quantum chemical methods. The potential energy surface of NMAOH and BMAOH has been built at the HF, B3LYP, and MP2 levels of...

Showing 1 to 12 of 28 entries