Molecular & Structural Biology: Recent submissions

Now showing items 1-20 of 83

Virtual screening strategies: Recent advances in the identification and design of anti-cancer agents

Kumar, Vikash; Krishna, Shagun; Siddiqi, M I (2015)

Virtual screening (VS) is a well-established technique, which is now routinely employed in computer aided drug designing process. VS can be broadly classified into two categories, i.e., ligand-based and structure-based ...
Biochemical and Biophysical Characterization of Leishmania donovani Gamma-glutamylcysteine Synthetase

Agnihotri, Pragati; Singh, S P; Shakya, A K; Pratap, J V (2016)

γ-glutamylcysteine synthetase (Gcs) is a vital enzyme catalyzing the first and rate limiting step in the trypanothione biosynthesis pathway, the ATP-dependent ligation of L-Glutamate and L-Cysteine to form gamma-glutamylcysteine. ...
Design and characterization of short antimicrobial peptides using leucine zipper templates with selectivity towards microorganisms

Ahmad, Aqeel; Azmi, Sarfuddin; Srivastava, Saurabh; Kumar, Amit; Tripathi, J K; Mishra, N N; Shukla, P K; Ghosh, J K (2014)

Design of antimicrobial peptides with selective activity towards microorganisms is an important step towards the development of new antimicrobial agents. Leucine zipper sequence has been implicated in cytotoxic activity ...
Oligomerization of coronin: Implication on actin filament length in Leishmania

Srivastava, Rashmi; Kajuluri, L P; Pathak, Neelam; Gupta, C M; Sahasrabuddhe, A A (2015)

Coronin proteins bind with actin filaments and participate in regulation of actin-dependent processes. These proteins contain a coiled-coil domain at their C-terminus, which is responsible for their dimeric or trimeric ...
A twinfilin-like protein coordinates karyokinesis by influencing mitotic spindle elongation and DNA replication in Leishmania

Kumar, Gaurav; Kajuluri, L P; Gupta, C M; Sahasrabuddhe, A A (2016)

Twinfilin is an evolutionarily conserved actin-binding protein, which regulates actin-dynamics in eukaryotic cells. Homologs of this protein have been detected in the genome of various protozoan parasites causing diseases ...
Tricyclic dihydrobenzoxazepine and tetracyclic indole derivatives can specifically target bacterial DNA ligases and can distinguish them from human DNA ligase I

Yadav, Nisha; Khanam, Taran; Shukla, Ankita; Rai, Niyati; Hajela, Kanchan; Ramachandran, Ravishankar (2015)

DNA ligases are critical players of DNA metabolism in all organisms. NAD+-dependent DNA ligases (LigA) found exclusively in bacteria and certain entomopoxviruses are drawing increasing attention as therapeutic targets as ...
Sulphur mobilisation for [Fe-S] cluster assembly by the essential SUF pathway in the Plasmodium falciparum apicoplast and its inhibition

Charan, Manish; Nidhi; Kumar, Bijay; Srivastava, Kumkum; Siddiqi, M I; Habib, Saman (2014)

The plastid of the malaria parasite- the apicoplast is essential for parasite survival. It houses several pathways of bacterial origin that are considered as attractive sites for drug intervention. Among these is the SUF ...
Isocitrate lyase of Mycobacterium tuberculosis is inhibited by quercetin through binding at N-terminus

Shukla, Harish; Kumar, Vikash; Singh, A K; Rastogi, Shivangi; Khan, S R; Siddiqi, M I; Krishnan, M Y; Akhtar, M S (2015)

Combating tuberculosis requires new therapeutic strategies that not only target the actively dividing bacilli but also the dormant bacilli during persistent infection. Isocitrate lyase (ICL) is a key enzyme of the glyoxylate ...
Identification of Novel Inhibitors of Mycobacterium tuberculosis PknG using Pharmacophore based Virtual Screening, Docking, Molecular Dynamics Simulation and their Biological Evaluation

Nidhi, Singh; Tiwari, Sameer; Srivastava, K K; Siddiqi, M I (2015)

PknG is a Ser/thr protein kinase that plays crucial role in regulatory processes within mycobacterial cell and signalling cascade of infected host cell. Essentiality of PknG in mycobacterial virulence by blocking ...
The prophage encoded hyaluronate lyase has broad substrate specificity and regulated by the N-terminal domain

Singh, S K; Bharati, A P; Singh, Neha; Pandey, Praveen; Joshi, Pankaj; Singh, Kavita; Mitra, Kalyan; Gayen, J R; Sarkar, Jayanta; Akhtar, M S (2014)

Streptococcus equi (S. equi) is the causative agent of the highly contagious disease ‘strangles’ in equines and zoonotic meningitis in human. Spreading of infection in host tissues is thought to be facilitated by the ...
Identification of novel inhibitors of human Chk1 using pharmacophore-based virtual screening and their evaluation as potential anti-cancer agents

Kumar, Vikash; Khan, Saman; Gupta, Priyanka; Rastogi, Namrata; Mishra, D P; Ahmed, Shakil; Siddiqi, M I (2014)

Kinases are one of the major players in cancer development and progression. Serine threonine kinases such as human checkpoint kinase-1(Chk1), Mek1 and cyclin-dependent kinases (CDKs) have been identified as promising targets ...
Solution Structures and Dynamics of ADF/cofilinsUNC-60A and UNC-60B from Caenorhabditiselegans

Shukla, V K; Kabra, Ashish; Maheshwari, Diva; Yadav, Rahul; Jain, Anupam; Tripathi, Sarita; Ono, Shoichiro; Kumar, Dinesh; Arora, Ashish (2015)

The nematode Caenorhabditiselegans has two ADF/cofilin isoforms, UNC-60A and UNC-60B, which are expressed from theunc60 gene by alternative splicing.UNC-60A has higher activity to cause net depolymerization, and to inhibit ...
Reduced ribosomes of the apicoplast and mitochondrion of Plasmodium spp. and predicted interactions with antibiotics

Gupta, Ankit; Shah, Priyanka; Haider, Afreen; Gupta, Kirti; Siddiqi, M I; Ralph, S A; Habib, Saman (2014)

Apicomplexan protists such as Plasmodium and Toxoplasma contain a mitochondrion and a relic plastid (apicoplast) that are sites of protein translation. Although there is emerging interest in the partitioning and function ...
Characterization of hyaluronic acid specific hyaluronate lyase (HylP) from Streptococcus pyogenes

Singh, S K; Malhotra, Soniya; Akhtar, M S (2014)

Streptococcus pyogenes is associated with a wide variety of mucosal and invasive infections that claim human life. The conversion from non pathogenic to toxigenic strain of S. pyogenes are thought to be mediated by ...
Pharmacophore-based screening and identification of novel human ligase I inhibitors with potential anti-cancer activity

Krishna, Shagun; Singh, D K; Meena, Sanjeev; Datta, Dipak; Siddiqi, M I; Banerjee, Dibyendu (2014)

Human DNA ligases are enzymes that are indispensable for DNA replication and repair processes. Among the three human ligases, ligase I is attributed to the ligation of thousands of Okazaki fragments that are formed during ...
Integrating molecular docking, CoMFA analysis and Machine Learning classification with virtual screening towards identification of novel scaffolds as Plasmodium falciparum enoyl acyl carrier protein reductase inhibitor

Shah, Priyanka; Tiwari, Sunita; Siddiqi, M I (2014)

In the present study, an integrated application of various in silico methods including molecular docking, CoMFA analyses and machine learning classification methods were used on a set of known triclosan and rhodanine ...
Recent advances in QSAR-based identification and design of anti- tubercular agents

Siddiqi, M I (2014)

Increasing worldwide incidence and the advent of multi drug resistant and extensively drug resistant tuberculosis raise the need of new drugs for the treatment of tuberculosis soon. To meet the required pace QSAR-based ...
FLAG tag module for PCR based gene targeting

Ranjan, Rajeev; Verma, S K; Ahmed, Shakil (2010)

Epitope tagging of yeast proteins has become an efficient tool for biochemical analysis of protein of interest. The epitope-tagged proteins can be used for western blotting, immunoprecipitation and immunofluorescence ...
DNA topoisomerase 2 mutant allele mildly delays the mitotic progression and activates the checkpoint protein kinase Chk1 in fission yeast

Yadav, Sudhanshu; Verma, S K; Ahmed, Shakil (2011)

DNA topoisomerases are specialized nuclear enzymes that perform topological modifications on double stranded DNA and hence are essential for DNA metabolism such as replication, transcription, recombination, condensation ...
Cloning, overexpression, purification and preliminary X-ray analysis of a Feast/famine regulatory protein (Rv2779c) from Mycobacterium tuberculosis H37Rv

Dey, Abhishek; Ramachandran, Ravishankar (2014)

Rv2779c from M. tuberculosis is a Feast/Famine regulatory protein also known as Leucine responsive regulatory protein/Asparagine synthase C- family (Lrp/AsnC) of transcriptional regulators. This class of proteins is known ...

Now showing items 1-20 of 83

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