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In S. aureus, lipophilic membrane (LLM) protein is a methicillin resistance factor and is an essential role in peptidoglycan metabolism. The virtual screening of antibacterial molecules against the model of LLM was performed to identify the potent antibacterial molecules. Molecular docking results of pharmacokinetic filtered molecules illustrated that five molecules had higher binding affinities than tunicamycin (TUM) and were stabled via non-covalent interactions (hydrogen bond and hydrophobic interactions) at the active site of LLM. Further, molecular dynamics results revealed that binding of identified antibacterial molecules with LLM resulted in stable LLM-inhibitor(s) complexes. Molecular Mechanics/Position-Boltzmann Surface Area (MMPBSA) analysis showed that LLM-inhibitor(s) complexes had high binding affinities in the range of −213.49 ± 2.24 to −227.42 ± 3.05 kJ/mol. The amino acid residues decomposition analysis confirmed that identified antibacterial molecules bound at the active site (Asn148, Leu149, Asp151, Asp208, His269, His271, and His272) of LLM. Noticeably, the current study found five antibacterial molecules (BDE 27575101, BDE 33638168, BDE 33672484, LAS 51502073, and BDE 25098678) were highly potent than TUM and even than earlier reported molecules. Therefore, here reported antibacterial molecules may be used directly or developed to inhibit LLM of S. aureus. Communicated by Ramaswamy H. Sarma

Background In the present study, three-dimensional application of confocal microscope is explored. The aim is to determine the sequence of intersecting lines written on a questioned document as a non-destructive technique. The authors have tested the Nikon confocal A1 microscope on two major criteria. The criterion 1 focuses on the analysis of homogenous intersecting lines, whereas the criterion 2 focuses on the effect of pen pressure on the sequence of the strokes. Fifty-four and 42 samples from criterion 1 and criterion 2 respectively were examined. All the intersecting strokes were homogeneous and in either black- or blue-coloured ink. They were made from glycol-based (ballpoint pen) and liquid-based (fountain pen and gel pen) inks. Result The authors were able to determine the correct sequence of homogeneous intersecting lines in 81 and 83% of the average data of samples for criterion 1 (the analysis of homogenous intersecting lines) and criterion 2 (the effect of pen pressure on the sequence of the strokes) respectively. Conclusion The confocal microscope proved to be a reliable and precise technique for analysing the homogeneous intersected lines made by any pen pressure beyond all the errors during interpretation.

In S. aureus, ribosome biogenesis GTP-binding (YsxC), a GTPase interacts with 50S subunit and 30S subunit of ribosome, and β’ subunit of RNA polymerase and played an important role in protein synthesis. For the identification of potent lead molecules, we have conducted pharmacophore modeling by consideration of pharmacophore features of GTP among YsxC-GTP complex. Virtual screening and molecular docking results displayed that five pharmacokinetic and ADMET filtered molecules—ZINC000006424138, ZINC000095502032, ZINC000225415132, ZINC000095475800, and ZINC000012990761—had higher binding affinities than GTP with YsxC. All the identified molecules shared similar pharmacophore features of GTP and were stabilized via hydrogen bonds and hydrophobic interactions with YsxC. Molecular dynamics analysis revealed that YsxC-inhibitor(s) complexes were lesser dynamics and higher stable than YsxC-GTP complex. Molecular Mechanics/Poisson-Boltzmann Surface Area (MMPBSA) results confirmed that identified molecules bound at the active site (Arg33, Ser34, Asn35, Val36, Lys38, Ser39, Thr40, Thr54, Ser55, Pro58, Lys60, Thr61, Thr144, Lys145, Ser178, and Ile179) of YsxC and formed the lower energy (–190.32 ± 3.46 to –217.03 ± 2.55 kJ/mol) complexes than YsxC-GTP (–157.16 ± 2.89 kJ/mol) complex. The identified molecules in this study can be further tested and utilized to design novel antimicrobial agents for S. aureus. Communicated by Ramaswamy H. Sarma

From ancient times, plants have been used by our ancestors in treatment of numerous ailments. Plants used in traditional Chinese medicine (TCM), which have been cultivated and expanded for thousands of years, are well documented for a plethora of beneficial effects against a variety of diseases. The bioactive component/s responsible for the pharmacological effect has been isolated and characterized through various modern techniques, which help us in carrying out further clinical studies and then commercialize the component in the form of a drug for human well-being. Moreover, these bioactive components also act as a lead compound in new drug program. In this chapter, we describe few bioactive constituents of TCM, their isolation, biological properties, and chemical synthesis.

Ayurveda as a medicine has been used for thousands of years and it is one of the oldest medical systems in the world. Ayurveda originated in India around 3000 years ago and till now ayurvedic medicines are being used in India. Government of India and other organizations all over the world supports laboratory and clinical research on ayurveda. According to ayurveda, an individual is not healthy because of imbalance of vata, pitta, and kapha in the body. Dhatus are the body tissues that are accountable for the working of organs, system, and structure of the body. There are seven dhatus which constitute the body—rasa, rakta, mamsa, med, asthi, majja, and shukra. Food, sleep, and celibacy is the tripod of ayurveda. Maintaining this tripod is essential for maintaining a healthy life. Common household herbs like clove, cinnamon, garlic, sandalwood, and many more are also discussed in this chapter.

Neem (Azadirachta indica), generally called Margosa or Indian Lilac, belongs to the family Meliaceae, subfamily Meloideae, and tribe Melieae. Neem has been known as a life-giving tree, holy tree, divine tree, village drug store, village pharmacy, panacea, and omnipotent tree of the Indian subcontinent. It has been widely mentioned in Ayurvedic, Chinese, and Unani medicines. Neem is considered harmless to humans, animals, birds, beneficial insects, and earthworms and has also been approved by the United States Environmental Protection Agency for use as a food crop. The neem tree has been used traditionally for centuries in both medicine and agriculture. Although neem is one of the most ancient and most widely used herbs on Earth, intense investigations of the properties of neem are now being undertaken. This serve as an example, if the traditional wisdom scientifically explored, can guide the efforts of modern science in discovering remedies for human ailments. Neem has immense potential, as it is the most versatile, multifarious tree of tropics. It contains maximum useful nonwood products (leaves, bark, flowers, fruits, seed, gum, oil, and neem cake) than any other phytochemically reach tree. Throughout the world, especially in the Indian subcontinent, the neem tree is referred to as a village pharmacy because it cures diseases and disorders ranging from bad teeth and bed bugs to ulcers and malaria (John, 2001). The health-promoting effect of neem is attributed to its rich source of antioxidant. Earlier finding confirmed that neem and its constituents play a role in the scavenging of free radical generation and prevention of disease pathogenesis. Recently, it has been reported as anticancerous and used for hepato-renal protective activities and hypolipidemic effect. The studies based on animal model established that neem and its chief constituents play a pivotal role in anticancer management through the modulation of various molecular pathways including p53, pTEN, NF-κB, PI3K/Akt, Bcl-2, and VEGF. Neem seeds and leaves have the ability to kill some disease-causing fungus, viruses, and parasites. It is considered as a safe medicinal plant and modulates numerous biological processes without any adverse effect. Neem has been found highly useful in controlling the oral disease, dental infections, and gum care. It has also been found to have contraceptive properties and effective in controlling the sexually transmitted disease (STDs).

A series of novel substituted imidazole derivatives were synthesized and have been screened in vivo for their hypotensive and acute toxicity activities. Out of seventeen compounds eight compounds (2b, 2c, 3b, 3c, 3f, 4a, 4b and 4c) have shown good hypotensive and bradycardiac responses. Compounds 3b, 3c, 3f and 4c have shown better activity than reference drug clonidine. All the compounds have shown ALD50>1000 mg/kg with maximum in 2e and 4c (>1200 mg/kg).

Objective : Cancer is the major worldwide problem. It arises due to uncontrolled growth of cells. In the present study a series of novel coumarin derivatives were designed and computationallyoptimized to investigate the interaction between designed ligands and 10 pdb files of five selected proteins. The objective here was to analyse in silico anticancerous activity of designed ligands to reduce cost and time for getting novel anticancerous drug with minimum side effects. Methods: Docking studies were performed to find outmaximum interaction between designed ligands and selected five proteins using Schrondinger software Maestro. Capecitabin has been used as reference compound. Structures of selected proteins were downloaded from protein data bank. Results: All the designed ligands showed mild to excellent binding with proteins.Most of the ligands exhibited better interaction compared to reference compoundcapacitabin with all pdb files. Some of designed ligands amongst ( 1-7 ) showed excellent docking score with all pdb files(2v5z, 2v60, 2v61) ofAmine oxidase. Conclusion: All the designed ligands were docked with ten pdb files of five different proteins and it was found that out of seven designed ligand, ligand 4 showed best binding (docking score -10.139 ) with pdb 2v5z of protein Amine oxidase. Docked ligand cavity of ligand 4 showed important hydrophobic/non polar residues such asIle199,Ile316,Trp119,Phe168,Ile198,Cys172,Tyr188,Tyr398,Tyr435,Phe343,Tyr60,Leu328,Leu171 and showed pi-pi interaction with Tyr326.Further wet lab studies are continued in our laboratory to confirm and find out efficiency and activity of target compounds. Keywords : Docking, Mono Amine Oxidase, Coumarin derivatives, Anticancerous activity, binding energy, Ramachandran Plot, Hydrophobic residue.

A variety of novel substituted imidazole derivatives are prepared and evaluated in vivo for their hypotensive activities and acute toxicities.

1-Thiocarbamoyl-3, 5-diphenyl-2-pyrazolines 4 and 5 have been prepared by cyclization of 1,3-diphenyl-2-propene-1 ones (chalcones) 3 with thiosemicarbazide in the presence of sodium hydroxide. Reaction of 3 with hydnazinehydrate followed by condensation with aryl isothiocyanates yields 1-N-substituted thiocarbamoyl-3, 5-diphenyl-2-pyrazolines 5. These compounds have been characterized on the basis of elemental analysis, IR, 1 H NMR and MS. Compounds have been evaluated for their cardiovascular activity and toxicity.

A series of aminoalkoxy phenyl-substituted naphthalene-1-yl-methanone was synthesized and tested for its anti-hyperglycemic activity in SLM and STZ-S rat models. Some compounds (3b, 4c and 4h) of the series were showing significant anti-hyperglycemic activity in male Sprague-Dawley rats in sucrose-loaded model (SLM) as well as in streptozotocin-induced model (STZ-S). Active compounds were also evaluated for relative binding affinity against glucagon receptor.

The continuous evolution of new microbas that are resistant to available antimicrobial agents poses a serious problem in the medical world and presents a challenge for the development of newer agents with a broadened spectrum of activity and improved pharmalogical and pharmacokinetic properties. In this area, a number of organic carbamates have emerged in the recent past as potential antibacterial and antiviral agents. The carbamate residue present in such molecules either contributes as a core component or towards improvement of their pharmacological and pharmacokinetic properties. Such compounds include both natural and synthetic products. In this review, recent data on carbamate antibacterial and antiviral agents are discussed.

A series of novel substituted quinazolin-4(3H)-one derivatives were synthesized and screened in vivo for their antihypertensive activities. Out of eighteen synthesized compounds, seven i.e. 2a, 2c, 4a, 4d, 5d, 6a & 6b compounds have shown hypotensive effect and produced bradycardia. These compounds have shown better activity than reference drug Prazosin (which acts as anti-hypertensive agent by α1 blocking action). All the compounds have shown ALD50>1000mg/kg with maximum in 2c & 4d (>1200mg/kg).